N-[(E)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitroaniline Traditional Name: [(E)-[(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-(2,4-dinitrophenyl)amine Formula: C33H50N4O4 MolecularWeight: 566.7745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C4)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC/C(=N\NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])/C4)C)C

InChI

InChI=1S/C33H50N4O4/c1-21(2)7-6-8-22(3)27-12-13-28-26-11-9-23-19-24(15-17-32(23,4)29(26)16-18-33(27,28)5)34-35-30-14-10-25(36(38)39)20-31(30)37(40)41/h10,14,20-23,26-29,35H,6-9,11-13,15-19H2,1-5H3/b34-24+/t22-,23+,26+,27-,28+,29+,32+,33-/m1/s1