13-methyl-4-nitro-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Systemtic Name: 13-methyl-4-nitro-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Openeye Name: 3-benzyloxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one CAS Name: 13-methyl-4-nitro-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one IUPAC Name: 13-methyl-4-nitro-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Traditional Name: 3-benzoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OCC5=CC=CC=C5

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C25H27NO4/c1-25-14-13-18-17-9-11-22(30-15-16-5-3-2-4-6-16)24(26(28)29)20(17)8-7-19(18)21(25)10-12-23(25)27/h2-6,9,11,18-19,21H,7-8,10,12-15H2,1H3