2-[(2-nitropyridin-3-yl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-nitropyridin-3-yl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-nitro-3-pyridyl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2-nitro-3-pyridinyl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-nitropyridin-3-yl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-nitro-3-pyridyl)oxymethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H11N4O4+ MolecularWeight: 299.26154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4/c19-13-8-10(16-12-5-1-2-7-17(12)13)9-22-11-4-3-6-15-14(11)18(20)21/h1-8H,9H2/p+1