[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-3-5-12(16)20-9(2)13(17)14-10-6-4-7-11(8-10)15(18)19/h3-9H,1-2H3,(H,14,17)/b5-3+