(13-methyl-11-oxidanylidene-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate

Systemtic Name: (13-methyl-11-oxidanylidene-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate Openeye Name: (13-methyl-11-oxo-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (13-methyl-11-oxo-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-methyl-11-oxo-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (11-keto-13-methyl-14,15,16,17-tetrahydro-12H-cyclopenta[a]phenanthren-3-yl) ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC12CCCC1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21NO5/c1-25-12-2-3-21(25)20-10-6-16-13-18(9-11-19(16)23(20)22(27)14-25)31-24(28)15-4-7-17(8-5-15)26(29)30/h4-11,13,21H,2-3,12,14H2,1H3