[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)NC1=C(C=C(C(=C1)C)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)NC1=C(C=C(C(=C1)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-4-5-6-7-16(20)23-10-15(19)17-13-8-11(2)12(3)9-14(13)18(21)22/h4-9H,10H2,1-3H3,(H,17,19)/b5-4+,7-6+