4-[[4-nitro-2-(phenylcarbonyl)phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-[[4-nitro-2-(phenylcarbonyl)phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid Openeye Name: 4-[(2-benzoyl-4-nitro-phenyl)carbamoyl]-1H-imidazole-5-carboxylic acid CAS Name: 4-[(2-benzoyl-4-nitroanilino)-oxomethyl]-1H-imidazole-5-carboxylic acid IUPAC Name: 4-[(2-benzoyl-4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid Traditional Name: 4-[(2-benzoyl-4-nitro-phenyl)carbamoyl]-1H-imidazole-5-carboxylic acid Formula: C18H12N4O6 MolecularWeight: 380.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(NC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(NC=N3)C(=O)O

InChI

InChI=1S/C18H12N4O6/c23-16(10-4-2-1-3-5-10)12-8-11(22(27)28)6-7-13(12)21-17(24)14-15(18(25)26)20-9-19-14/h1-9H,(H,19,20)(H,21,24)(H,25,26)