[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C=C/C(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5/c1-3-4-6-11-19(24)28-20(16-9-7-5-8-10-16)21(25)22-17-13-12-15(2)14-18(17)23(26)27/h3-14,20H,1-2H3,(H,22,25)/b4-3+,11-6+