7-[4-[(3-bromophenyl)methylcarbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-[(3-bromophenyl)methylcarbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-[(3-bromophenyl)methylcarbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[[(3-bromophenyl)methylamino]-oxomethoxy]methyl]-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[(3-bromophenyl)methylcarbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-[(3-bromobenzyl)carbamoyloxymethyl]imidazol-1-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C21H15BrN6O7 MolecularWeight: 543.2838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN6O7/c22-12-3-1-2-11(4-12)7-23-21(32)35-9-13-8-27(10-24-13)16-5-14-15(6-17(16)28(33)34)26-19(29)18(25-14)20(30)31/h1-6,8,10H,7,9H2,(H,23,32)(H,26,29)(H,30,31)