[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-3-5-13(17)20-8-12(16)14-10-6-4-7-11(9(10)2)15(18)19/h3-7H,8H2,1-2H3,(H,14,16)/b5-3+