4-(8-nitro-3-oxidanylidene-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzenecarbonitrile

Systemtic Name: 4-(8-nitro-3-oxidanylidene-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzenecarbonitrile Openeye Name: 4-(8-nitro-3-oxo-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzonitrile CAS Name: 4-(8-nitro-3-oxo-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzonitrile IUPAC Name: 4-(8-nitro-3-oxo-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzonitrile Traditional Name: 4-(3-keto-8-nitro-1-propyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-7-yl)benzonitrile Formula: C22H17N5O3 MolecularWeight: 399.40208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C2N1C3=C(C(=CC=C3)[N+](=O)[O-])C(=NC2)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C2N1C3=C(C(=CC=C3)[N+](=O)[O-])C(=NC2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H17N5O3/c1-2-4-16-11-20(28)25-19-13-24-22(15-9-7-14(12-23)8-10-15)21-17(26(16)19)5-3-6-18(21)27(29)30/h3,5-11H,2,4,13H2,1H3