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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C17H13BrN2O4/c1-11-3-2-8-20-15(21)9-12(19-17(11)20)10-23-16(22)7-5-13-4-6-14(18)24-13/h2-9H,10H2,1H3/b7-5+