2-[(3,4-diethoxyphenyl)amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(3,4-diethoxyphenyl)amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-diethoxyanilino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,4-diethoxyanilino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-diethoxyanilino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,4-diethoxyanilino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H19N4O5+ MolecularWeight: 371.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H18N4O5/c1-3-26-13-9-8-12(11-14(13)27-4-2)19-17-16(22(24)25)18(23)21-10-6-5-7-15(21)20-17/h5-11H,3-4H2,1-2H3,(H,19,23)/p+1