(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-14-6-5-11-23-18(25)12-15(22-20(14)23)13-29-19(26)9-4-10-21-16-7-2-3-8-17(16)24(27)28/h2-3,5-8,11-12,21H,4,9-10,13H2,1H3