O1-ethyl O4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(4-nitroanilino)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(4-nitroanilino)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(4-nitroanilino)ethyl] ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O7/c1-2-22-13(18)7-8-14(19)23-9-12(17)15-10-3-5-11(6-4-10)16(20)21/h3-8H,2,9H2,1H3,(H,15,17)/b8-7+