4-[[7-nitro-2,4-bis(oxidanylidene)-1-propyl-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-nitro-2,4-bis(oxidanylidene)-1-propyl-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(7-nitro-2,4-dioxo-1-propyl-quinazolin-3-yl)methyl]benzonitrile CAS Name: 4-[(7-nitro-2,4-dioxo-1-propyl-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 4-[(7-nitro-2,4-dioxo-1-propylquinazolin-3-yl)methyl]benzonitrile Traditional Name: 4-[(2,4-diketo-7-nitro-1-propyl-quinazolin-3-yl)methyl]benzonitrile Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N4O4/c1-2-9-21-17-10-15(23(26)27)7-8-16(17)18(24)22(19(21)25)12-14-5-3-13(11-20)4-6-14/h3-8,10H,2,9,12H2,1H3