(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-triazolyl]-2-propenoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyltriazol-4-yl)acrylic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C=CC3=CN(N=N3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4/c1-19-27(21-10-6-3-7-11-21)28(33)24-14-13-23(16-25(24)34-19)35-26(32)15-12-22-18-31(30-29-22)17-20-8-4-2-5-9-20/h2-16,18H,17H2,1H3/b15-12+