2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 4-nitrobenzoate

Systemtic Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 4-nitrobenzoate Openeye Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester IUPAC Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCC3C2(CCC4C3CCC5C4(CCC(=O)N5C)C)C

Isomeric SMILES

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)N5C)C)C

InChI

InChI=1S/C29H40N2O5/c1-18(17-36-27(33)19-5-7-20(8-6-19)31(34)35)22-10-11-23-21-9-12-25-29(3,16-14-26(32)30(25)4)24(21)13-15-28(22,23)2/h5-8,18,21-25H,9-17H2,1-4H3/t18?,21-,22+,23-,24-,25+,28+,29+/m0/s1