(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H13BrN4O4 MolecularWeight: 441.23492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)CC#N

InChI

InChI=1S/C19H13BrN4O4/c20-13-3-6-16-22-15(9-18(26)24(16)10-13)11-28-19(27)12-1-4-14(5-2-12)23-17(25)7-8-21/h1-6,9-10H,7,11H2,(H,23,25)