(2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloranyl-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-ol

Systemtic Name: (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloranyl-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-ol Openeye Name: (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloro-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-ol CAS Name: (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloro-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-ol IUPAC Name: (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloro-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-ol Traditional Name: (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2-chloro-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-ol Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4C3(CC(C(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)Cl)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@H](/C(=N/OC5=CC=C(C=C5)[N+](=O)[O-])/C4)Cl)C

InChI

InChI=1S/C25H33ClN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21,23,29H,3,8-14H2,1-2H3/b27-22+/t15-,18-,19-,20-,21+,23-,24-,25-/m0/s1