6-chloranyl-7-[3-[[(4-methylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-chloranyl-7-[3-[[(4-methylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-3-oxo-7-[3-[(p-tolylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[3-[[[(4-methylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[3-[[(4-methylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-3-keto-7-[3-[(p-tolylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Formula: C22H18ClN5O4 MolecularWeight: 451.86242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C22H18ClN5O4/c1-12-2-4-14(5-3-12)25-22(32)24-10-13-6-7-28(11-13)18-9-17-16(8-15(18)23)27-20(29)19(26-17)21(30)31/h2-9,11H,10H2,1H3,(H,27,29)(H,30,31)(H2,24,25,32)