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

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]pyridin-1-ium-3-carboxamide Formula: C15H15N4O5+ MolecularWeight: 331.3034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C15H14N4O5/c1-24-13-5-4-11(19(22)23)7-12(13)17-14(20)9-18-6-2-3-10(8-18)15(16)21/h2-8H,9H2,1H3,(H2-,16,17,20,21)/p+1