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

Systemtic Name: 1-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-olate Openeye Name: 1-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-olate CAS Name: 1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-3-pyridin-1-iumolate IUPAC Name: 1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]pyridin-1-ium-3-olate Traditional Name: 1-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]pyridin-1-ium-3-olate Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-22-13-7-10(17(20)21)4-5-12(13)15-14(19)9-16-6-2-3-11(18)8-16/h2-8H,9H2,1H3,(H-,15,18,19)