methyl 2-[[(3-azanylquinoxalin-2-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-[[(3-azanylquinoxalin-2-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-[[(3-aminoquinoxaline-2-carbonyl)amino]methyl]benzoate CAS Name: 2-[[[(3-amino-2-quinoxalinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3-aminoquinoxaline-2-carbonyl)amino]methyl]benzoate Traditional Name: 2-[[(3-aminoquinoxaline-2-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CNC(=O)C2=NC3=CC=CC=C3N=C2N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CNC(=O)C2=NC3=CC=CC=C3N=C2N

InChI

InChI=1S/C18H16N4O3/c1-25-18(24)12-7-3-2-6-11(12)10-20-17(23)15-16(19)22-14-9-5-4-8-13(14)21-15/h2-9H,10H2,1H3,(H2,19,22)(H,20,23)