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

Systemtic Name: 4-[[(7-chloranyl-6-nitro-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzamide CAS Name: 4-[[(7-chloro-6-nitro-4-quinazolinyl)amino]methyl]benzamide IUPAC Name: 4-[[(7-chloro-6-nitroquinazolin-4-yl)amino]methyl]benzamide Traditional Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzamide Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C16H12ClN5O3/c17-12-6-13-11(5-14(12)22(24)25)16(21-8-20-13)19-7-9-1-3-10(4-2-9)15(18)23/h1-6,8H,7H2,(H2,18,23)(H,19,20,21)