1-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C14H12ClN4O4+ MolecularWeight: 335.72248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C14H11ClN4O4/c15-11-6-10(19(22)23)3-4-12(11)17-13(20)8-18-5-1-2-9(7-18)14(16)21/h1-7H,8H2,(H2-,16,17,20,21)/p+1