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

Systemtic Name: 6-[4-[(4-methoxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-[(4-methoxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-[[(4-methoxyanilino)-oxomethoxy]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-[(4-methoxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 2-keto-6-[4-[(4-methoxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-1H-quinoline-3-carboxylic acid Formula: C22H17N5O8 MolecularWeight: 479.39908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C22H17N5O8/c1-34-15-4-2-13(3-5-15)24-22(31)35-10-14-9-26(11-23-14)18-7-12-6-16(21(29)30)20(28)25-17(12)8-19(18)27(32)33/h2-9,11H,10H2,1H3,(H,24,31)(H,25,28)(H,29,30)