[(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(3Z,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenyl)oximino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC/C(=N/OC5=CC=C(C=C5)[N+](=O)[O-])/C4)C)C

InChI

InChI=1S/C27H36N2O5/c1-17(30)33-25-11-10-23-22-9-4-18-16-19(28-34-21-7-5-20(6-8-21)29(31)32)12-14-26(18,2)24(22)13-15-27(23,25)3/h5-8,18,22-25H,4,9-16H2,1-3H3/b28-19-/t18-,22-,23-,24-,25-,26-,27-/m0/s1