O4-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7/c1-4-24-15(20)5-6-16(21)25-9-14(19)17-12-7-10(2)11(3)8-13(12)18(22)23/h5-8H,4,9H2,1-3H3,(H,17,19)/b6-5+