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

Systemtic Name: 6-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-nitro-2-oxo-6-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-[[(4-methylanilino)-oxomethoxy]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 2-keto-7-nitro-6-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-1H-quinoline-3-carboxylic acid Formula: C22H17N5O7 MolecularWeight: 463.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)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/C22H17N5O7/c1-12-2-4-14(5-3-12)24-22(31)34-10-15-9-26(11-23-15)18-7-13-6-16(21(29)30)20(28)25-17(13)8-19(18)27(32)33/h2-9,11H,10H2,1H3,(H,24,31)(H,25,28)(H,29,30)