1-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H17N4O4+ MolecularWeight: 329.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H16N4O4/c1-10-6-13(14(20(23)24)7-11(10)2)18-15(21)9-19-5-3-4-12(8-19)16(17)22/h3-8H,9H2,1-2H3,(H2-,17,18,21,22)/p+1