[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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