(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitrobenzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitrobenzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H13N3O5/c1-11-5-6-15-18-13(8-16(21)19(15)9-11)10-25-17(22)12-3-2-4-14(7-12)20(23)24/h2-9H,10H2,1H3