[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-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-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-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-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C30H20N4O5 MolecularWeight: 516.5036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)OCC(=O)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)OCC(=O)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C30H20N4O5/c31-17-20-7-6-9-23(15-20)32-27(35)19-38-28(36)14-13-22-18-34(24-10-2-1-3-11-24)33-29(22)25-16-21-8-4-5-12-26(21)39-30(25)37/h1-16,18H,19H2,(H,32,35)