methyl 4-[methyl-(4-nitro-3-oxidanyl-phenyl)carbonyl-amino]butanoate

Systemtic Name: methyl 4-[methyl-(4-nitro-3-oxidanyl-phenyl)carbonyl-amino]butanoate Openeye Name: methyl 4-[(3-hydroxy-4-nitro-benzoyl)-methyl-amino]butanoate CAS Name: 4-[[(3-hydroxy-4-nitrophenyl)-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-hydroxy-4-nitrobenzoyl)-methylamino]butanoate Traditional Name: 4-[(3-hydroxy-4-nitro-benzoyl)-methyl-amino]butyric acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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