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

Systemtic Name: 7-[4-[(4-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-[(4-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[(4-bromoanilino)-oxomethoxy]methyl]-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[(4-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-[(4-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C20H13BrN6O7 MolecularWeight: 529.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C20H13BrN6O7/c21-10-1-3-11(4-2-10)23-20(31)34-8-12-7-26(9-22-12)15-5-13-14(6-16(15)27(32)33)25-18(28)17(24-13)19(29)30/h1-7,9H,8H2,(H,23,31)(H,25,28)(H,29,30)