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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)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 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17BrN4O5 MolecularWeight: 473.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN4O5/c21-14-4-6-18-22-15(10-19(26)24(18)11-14)12-30-20(27)13-3-5-16(17(9-13)25(28)29)23-7-1-2-8-23/h3-6,9-11H,1-2,7-8,12H2