1-(2-hydroxyethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-(2-hydroxyethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(2-hydroxyethyl)-N-[(E)-(3-nitrophenyl)methyleneamino]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(2-hydroxyethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(2-hydroxyethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-hydroxyethyl)-N-[(E)-(3-nitrobenzylidene)amino]pyridin-1-ium-3-carboxamide chloride Formula: C15H15ClN4O4 MolecularWeight: 350.757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C[N+](=CC=C2)CCO.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4.ClH/c20-8-7-18-6-2-4-13(11-18)15(21)17-16-10-12-3-1-5-14(9-12)19(22)23;/h1-6,9-11,20H,7-8H2;1H/b16-10+;