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

Systemtic Name: 6-chloranyl-7-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-3-oxo-7-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[4-[[(4-methylanilino)-oxomethoxy]methyl]-1-imidazolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-3-keto-7-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-4H-quinoxaline-2-carboxylic acid Formula: C21H16ClN5O5 MolecularWeight: 453.83524

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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)N=C(C(=O)N4)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C21H16ClN5O5/c1-11-2-4-12(5-3-11)24-21(31)32-9-13-8-27(10-23-13)17-7-16-15(6-14(17)22)26-19(28)18(25-16)20(29)30/h2-8,10H,9H2,1H3,(H,24,31)(H,26,28)(H,29,30)