4-[(4-ethoxycarbonyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-ethoxycarbonyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-ethoxycarbonyl-3-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-ethoxycarbonyl-3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-ethoxycarbonyl-3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-(4-carbethoxy-3-nitro-anilino)-4-keto-butyric acid Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-2-22-13(19)9-4-3-8(7-10(9)15(20)21)14-11(16)5-6-12(17)18/h3-4,7H,2,5-6H2,1H3,(H,14,16)(H,17,18)