(1S)-1-[(4-methoxyphenyl)amino]-1-(4-nitrophenyl)hept-6-en-3-one

Systemtic Name: (1S)-1-[(4-methoxyphenyl)amino]-1-(4-nitrophenyl)hept-6-en-3-one Openeye Name: (1S)-1-(4-methoxyanilino)-1-(4-nitrophenyl)hept-6-en-3-one CAS Name: (1S)-1-(4-methoxyanilino)-1-(4-nitrophenyl)-6-hepten-3-one IUPAC Name: (1S)-1-(4-methoxyanilino)-1-(4-nitrophenyl)hept-6-en-3-one Traditional Name: (1S)-1-(4-nitrophenyl)-1-(p-anisidino)hept-6-en-3-one Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CC(=O)CCC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N[C@@H](CC(=O)CCC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-3-4-5-18(23)14-20(15-6-10-17(11-7-15)22(24)25)21-16-8-12-19(26-2)13-9-16/h3,6-13,20-21H,1,4-5,14H2,2H3/t20-/m0/s1