[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C13H13FN2O5 MolecularWeight: 296.251123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O5/c1-3-4-12(17)21-8(2)13(18)15-9-5-6-10(14)11(7-9)16(19)20/h3-8H,1-2H3,(H,15,18)/b4-3+