(5S)-5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

Systemtic Name: (5S)-5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: (5S)-5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one CAS Name: (5S)-5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)-1-cyclohex-2-enone IUPAC Name: (5S)-5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=CC(=O)C2)NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O5/c1-26-19-8-3-13(11-20(19)27-2)14-9-16(12-18(23)10-14)21-15-4-6-17(7-5-15)22(24)25/h3-8,11-12,14,21H,9-10H2,1-2H3/t14-/m0/s1