3-(2-nitrophenyl)-4-[1-(3-oxidanylpropyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(2-nitrophenyl)-4-[1-(3-oxidanylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(2-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-[1-(3-hydroxypropyl)-3-indolyl]-4-(2-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(2-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(2-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCO)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCO)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c25-11-5-10-23-12-15(13-6-1-3-8-16(13)23)19-18(20(26)22-21(19)27)14-7-2-4-9-17(14)24(28)29/h1-4,6-9,12,25H,5,10-11H2,(H,22,26,27)