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

Systemtic Name: 6-[4-[(3-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-[(3-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-[[(3-bromoanilino)-oxomethoxy]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-[(3-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-[(3-bromophenyl)carbamoyloxymethyl]imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C21H14BrN5O7 MolecularWeight: 528.26916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)Br)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/C21H14BrN5O7/c22-12-2-1-3-13(6-12)24-21(31)34-9-14-8-26(10-23-14)17-5-11-4-15(20(29)30)19(28)25-16(11)7-18(17)27(32)33/h1-8,10H,9H2,(H,24,31)(H,25,28)(H,29,30)