4-[4-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)piperazino]sulfonylbenzonitrile Formula: C19H16N6O5S MolecularWeight: 440.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H16N6O5S/c20-13-14-4-6-15(7-5-14)31(29,30)23-11-9-22(10-12-23)18-17(25(27)28)19(26)24-8-2-1-3-16(24)21-18/h1-8H,9-12H2