(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H15ClN4O5 MolecularWeight: 450.8313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O5/c23-15-7-9-20-25-17(11-21(28)26(20)12-15)13-32-22(29)14-6-8-18(19(10-14)27(30)31)24-16-4-2-1-3-5-16/h1-12,24H,13H2