3-(2-methoxyphenyl)-4-[1-(3-oxidanylpropyl)indazol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(2-methoxyphenyl)-4-[1-(3-oxidanylpropyl)indazol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[1-(3-hydroxypropyl)-3-indazolyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(2-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=O)NC2=O)C3=NN(C4=CC=CC=C43)CCCO

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=O)NC2=O)C3=NN(C4=CC=CC=C43)CCCO

InChI

InChI=1S/C21H19N3O4/c1-28-16-10-5-3-8-14(16)17-18(21(27)22-20(17)26)19-13-7-2-4-9-15(13)24(23-19)11-6-12-25/h2-5,7-10,25H,6,11-12H2,1H3,(H,22,26,27)