N-[(E)-(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride Openeye Name: 1-benzyl-N-[(E)-(3-nitrophenyl)methyleneamino]pyridin-1-ium-4-carboxamide chloride CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-benzyl-N-[(E)-(3-nitrophenyl)methylideneamino]pyridin-1-ium-4-carboxamide chloride Traditional Name: 1-benzyl-N-[(E)-(3-nitrobenzylidene)amino]pyridin-1-ium-4-carboxamide chloride Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H16N4O3.ClH/c25-20(22-21-14-17-7-4-8-19(13-17)24(26)27)18-9-11-23(12-10-18)15-16-5-2-1-3-6-16;/h1-14H,15H2;1H