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

Systemtic Name: 7-nitro-2-oxidanylidene-6-[4-[(phenylmethyl)carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 7-nitro-2-oxo-6-[4-[[oxo-[(phenylmethyl)amino]methoxy]methyl]-1-imidazolyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C22H17N5O7 MolecularWeight: 463.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H17N5O7/c28-20-16(21(29)30)6-14-7-18(19(27(32)33)8-17(14)25-20)26-10-15(24-12-26)11-34-22(31)23-9-13-4-2-1-3-5-13/h1-8,10,12H,9,11H2,(H,23,31)(H,25,28)(H,29,30)