1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-[2-(3-nitrophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-(3-nitrophenyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C21H18N3O4+ MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4/c25-20(17-8-4-10-19(12-17)24(27)28)15-23-11-5-9-18(14-23)21(26)22-13-16-6-2-1-3-7-16/h1-12,14H,13,15H2/p+1