6-[4-[(4-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-[(4-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-[(4-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-[[(4-carboxyanilino)-oxomethoxy]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-[(4-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-[(4-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C22H15N5O9 MolecularWeight: 493.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O9/c28-19-15(21(31)32)5-12-6-17(18(27(34)35)7-16(12)25-19)26-8-14(23-10-26)9-36-22(33)24-13-3-1-11(2-4-13)20(29)30/h1-8,10H,9H2,(H,24,33)(H,25,28)(H,29,30)(H,31,32)