4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O6/c1-19-9-6-7(13(17)18)2-3-8(9)12-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16)