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

Systemtic Name: 2-[(6-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]pentanedinitrile Openeye Name: 2-[(6-nitro-4-oxo-quinazolin-3-yl)methyl]pentanedinitrile CAS Name: 2-[(6-nitro-4-oxo-3-quinazolinyl)methyl]pentanedinitrile IUPAC Name: 2-[(6-nitro-4-oxoquinazolin-3-yl)methyl]pentanedinitrile Traditional Name: 2-[(4-keto-6-nitro-quinazolin-3-yl)methyl]glutaronitrile Formula: C14H11N5O3 MolecularWeight: 297.26884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C=N2)CC(CCC#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C=N2)CC(CCC#N)C#N

InChI

InChI=1S/C14H11N5O3/c15-5-1-2-10(7-16)8-18-9-17-13-4-3-11(19(21)22)6-12(13)14(18)20/h3-4,6,9-10H,1-2,8H2