[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-4-5-13(18)21-8-12(17)15-14-10(3)9(2)6-7-11(14)16(19)20/h6-7H,4-5,8H2,1-3H3,(H,15,17)