4-[4-[(4-methoxyphenyl)carbonylamino]-3-nitro-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(4-methoxyphenyl)carbonylamino]-3-nitro-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(4-methoxybenzoyl)amino]-3-nitro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[(4-methoxyphenyl)-oxomethyl]amino]-3-nitrophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4-methoxybenzoyl)amino]-3-nitrophenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-nitro-4-(p-anisoylamino)phenyl]butyric acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c1-27-13-5-2-11(3-6-13)18(24)19-14-7-4-12(10-15(14)20(25)26)16(21)8-9-17(22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H,22,23)