N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenacyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenacylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-[(E)-(3-nitrobenzylidene)amino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H17BrN4O4 MolecularWeight: 469.28808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4.BrH/c26-20(17-7-2-1-3-8-17)15-24-11-5-9-18(14-24)21(27)23-22-13-16-6-4-10-19(12-16)25(28)29;/h1-14H,15H2;1H/b22-13+;