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

Systemtic Name: 6-[2-[[(3-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[2-[[(3-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[2-[[[(3-carboxyanilino)-oxomethyl]amino]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[2-[[(3-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[2-[[(3-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C22H16N6O8 MolecularWeight: 492.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=NC=CN2C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=NC=CN2C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H16N6O8/c29-19-14(21(32)33)7-12-8-16(17(28(35)36)9-15(12)26-19)27-5-4-23-18(27)10-24-22(34)25-13-3-1-2-11(6-13)20(30)31/h1-9H,10H2,(H,26,29)(H,30,31)(H,32,33)(H2,24,25,34)