(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic 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 (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H13N3O6/c1-11-2-5-14-18-12(8-15(21)19(14)9-11)10-25-17(22)7-4-13-3-6-16(26-13)20(23)24/h2-9H,10H2,1H3/b7-4+