[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-3-4-9-13(17)21-10(2)14(18)15-11-7-5-6-8-12(11)16(19)20/h4-10H,3H2,1-2H3,(H,15,18)/b9-4+/t10-/m0/s1