ethyl 4-[[(7-chloranyl-6-nitro-quinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(7-chloranyl-6-nitro-quinazolin-4-yl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(7-chloro-6-nitro-4-quinazolinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(7-chloro-6-nitroquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzoic acid ethyl ester Formula: C18H15ClN4O4 MolecularWeight: 386.7891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4/c1-2-27-18(24)12-5-3-11(4-6-12)9-20-17-13-7-16(23(25)26)14(19)8-15(13)21-10-22-17/h3-8,10H,2,9H2,1H3,(H,20,21,22)