7-[5-[(4-bromophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[5-[(4-bromophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid Openeye Name: 7-[5-[(4-bromophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid CAS Name: 7-[5-[[(4-bromoanilino)-oxomethoxy]methyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-2-quinoxalinecarboxylic acid IUPAC Name: 7-[5-[(4-bromophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitroquinoxaline-2-carboxylic acid Traditional Name: 7-[5-[(4-bromophenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid Formula: C22H17BrN6O7 MolecularWeight: 557.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)COC(=O)NC4=CC=C(C=C4)Br)N=C1C(=O)O

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])C3=NC=C(N3)COC(=O)NC4=CC=C(C=C4)Br)N=C1C(=O)O

InChI

InChI=1S/C22H17BrN6O7/c1-2-35-20-18(21(30)31)27-15-7-14(17(29(33)34)8-16(15)28-20)19-24-9-13(25-19)10-36-22(32)26-12-5-3-11(23)4-6-12/h3-9H,2,10H2,1H3,(H,24,25)(H,26,32)(H,30,31)