[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c1-2-3-13(18)21-8-12(17)15-11-5-4-10(16(19)20)6-9(11)7-14/h2-6H,8H2,1H3,(H,15,17)/b3-2+