(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H14BrClN2O4 MolecularWeight: 437.67176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)Cl)C

InChI

InChI=1S/C18H14BrClN2O4/c1-10-13(18(20)22(2)21-10)5-6-16(23)25-9-11-7-17(24)26-15-8-12(19)3-4-14(11)15/h3-8H,9H2,1-2H3/b6-5+