7-[5-[[(4-carboxyphenyl)carbamoylamino]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[5-[[(4-carboxyphenyl)carbamoylamino]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[5-[[(4-carboxyphenyl)carbamoylamino]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[5-[[[(4-carboxyanilino)-oxomethyl]amino]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[5-[[(4-carboxyphenyl)carbamoylamino]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[5-[[(4-carboxyphenyl)carbamoylamino]methyl]-1H-imidazol-2-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C21H15N7O8 MolecularWeight: 493.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)C(=O)O

InChI

InChI=1S/C21H15N7O8/c29-18-16(20(32)33)26-13-5-12(15(28(35)36)6-14(13)27-18)17-22-7-11(24-17)8-23-21(34)25-10-3-1-9(2-4-10)19(30)31/h1-7H,8H2,(H,22,24)(H,27,29)(H,30,31)(H,32,33)(H2,23,25,34)