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

Systemtic Name: 4-[[(7-chloranyl-6-nitro-quinazolin-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzonitrile CAS Name: 4-[[(7-chloro-6-nitro-4-quinazolinyl)amino]methyl]benzonitrile IUPAC Name: 4-[[(7-chloro-6-nitroquinazolin-4-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(7-chloro-6-nitro-quinazolin-4-yl)amino]methyl]benzonitrile Formula: C16H10ClN5O2 MolecularWeight: 339.7359

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O2/c17-13-6-14-12(5-15(13)22(23)24)16(21-9-20-14)19-8-11-3-1-10(7-18)2-4-11/h1-6,9H,8H2,(H,19,20,21)