(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6/c1-13-3-2-4-19-22-15(11-20(25)23(13)19)12-29-21(26)18-10-9-17(30-18)14-5-7-16(8-6-14)24(27)28/h2-11H,12H2,1H3