[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-4-13(17)21-8-12(16)14-10-7-9(15(18)19)5-6-11(10)20-2/h5-7H,3-4,8H2,1-2H3,(H,14,16)