2-[(7-chloranyl-6-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]pentanedinitrile

Systemtic Name: 2-[(7-chloranyl-6-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]pentanedinitrile Openeye Name: 2-[(7-chloro-6-nitro-4-oxo-quinazolin-3-yl)methyl]pentanedinitrile CAS Name: 2-[(7-chloro-6-nitro-4-oxo-3-quinazolinyl)methyl]pentanedinitrile IUPAC Name: 2-[(7-chloro-6-nitro-4-oxoquinazolin-3-yl)methyl]pentanedinitrile Traditional Name: 2-[(7-chloro-4-keto-6-nitro-quinazolin-3-yl)methyl]glutaronitrile Formula: C14H10ClN5O3 MolecularWeight: 331.7139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CN(C2=O)CC(CCC#N)C#N

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CN(C2=O)CC(CCC#N)C#N

InChI

InChI=1S/C14H10ClN5O3/c15-11-5-12-10(4-13(11)20(22)23)14(21)19(8-18-12)7-9(6-17)2-1-3-16/h4-5,8-9H,1-2,7H2