[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

InChI

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