[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C31H23N3O7 MolecularWeight: 549.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H23N3O7/c35-28(32-16-20-10-12-26-27(14-20)40-19-39-26)18-38-29(36)13-11-22-17-34(23-7-2-1-3-8-23)33-30(22)24-15-21-6-4-5-9-25(21)41-31(24)37/h1-15,17H,16,18-19H2,(H,32,35)