N-[3-[[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]methyl]phenyl]-2-furamide Formula: C20H16N5O5+ MolecularWeight: 406.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H15N5O5/c26-19(15-7-4-10-30-15)22-14-6-3-5-13(11-14)12-21-18-17(25(28)29)20(27)24-9-2-1-8-16(24)23-18/h1-11H,12H2,(H2,21,22,26,27)/p+1