4-[methanoyl-(4-methoxy-3-nitro-phenyl)amino]butanoic acid

Systemtic Name: 4-[methanoyl-(4-methoxy-3-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(N-formyl-4-methoxy-3-nitro-anilino)butanoic acid CAS Name: 4-(N-formyl-4-methoxy-3-nitroanilino)butanoic acid IUPAC Name: 4-(N-formyl-4-methoxy-3-nitroanilino)butanoic acid Traditional Name: 4-(N-formyl-4-methoxy-3-nitro-anilino)butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)O)C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)O)C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-20-11-5-4-9(7-10(11)14(18)19)13(8-15)6-2-3-12(16)17/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)