(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-nitrobenzoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-15-9-12(17-14-3-1-2-8-18(14)15)10-24-16(21)11-4-6-13(7-5-11)19(22)23/h1-9H,10H2