3-(4-nitrophenyl)-3-oxidanylidene-N-pyridin-1-ium-3-yl-propanamide

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanylidene-N-pyridin-1-ium-3-yl-propanamide Openeye Name: 3-(4-nitrophenyl)-3-oxo-N-pyridin-1-ium-3-yl-propanamide CAS Name: 3-(4-nitrophenyl)-3-oxo-N-(3-pyridin-1-iumyl)propanamide IUPAC Name: 3-(4-nitrophenyl)-3-oxo-N-pyridin-1-ium-3-ylpropanamide Traditional Name: 3-keto-3-(4-nitrophenyl)-N-pyridin-1-ium-3-yl-propionamide Formula: C14H12N3O4+ MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4/c18-13(10-3-5-12(6-4-10)17(20)21)8-14(19)16-11-2-1-7-15-9-11/h1-7,9H,8H2,(H,16,19)/p+1