4-(4-nitrophenyl)-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile

Systemtic Name: 4-(4-nitrophenyl)-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile Openeye Name: 4-(4-nitrophenyl)-2,6-dioxo-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile CAS Name: 4-(4-nitrophenyl)-2,6-dioxo-5-(1-pyridin-1-iumyl)-3-piperidinecarbonitrile IUPAC Name: 4-(4-nitrophenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidine-3-carbonitrile Traditional Name: 2,6-diketo-4-(4-nitrophenyl)-5-pyridin-1-ium-1-yl-nipecotonitrile Formula: C17H13N4O4+ MolecularWeight: 337.30952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(C(=O)NC2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2C(C(C(=O)NC2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c18-10-13-14(11-4-6-12(7-5-11)21(24)25)15(17(23)19-16(13)22)20-8-2-1-3-9-20/h1-9,13-15H/p+1