3-(7-nitro-2-phenanthren-2-yl-1-propyl-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-(7-nitro-2-phenanthren-2-yl-1-propyl-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[7-nitro-2-(2-phenanthryl)-1-propyl-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-[7-nitro-2-(2-phenanthrenyl)-1-propyl-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(7-nitro-2-phenanthren-2-yl-1-propylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[7-nitro-2-(2-phenanthryl)-1-propyl-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C29H21N3O4 MolecularWeight: 475.49474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C(=CC=C2)[N+](=O)[O-])C3=CC(=O)NC3=O)C4=CC5=C(C=C4)C6=CC=CC=C6C=C5

Isomeric SMILES

CCCN1C(=C(C2=C1C(=CC=C2)[N+](=O)[O-])C3=CC(=O)NC3=O)C4=CC5=C(C=C4)C6=CC=CC=C6C=C5

InChI

InChI=1S/C29H21N3O4/c1-2-14-31-27(19-12-13-21-18(15-19)11-10-17-6-3-4-7-20(17)21)26(23-16-25(33)30-29(23)34)22-8-5-9-24(28(22)31)32(35)36/h3-13,15-16H,2,14H2,1H3,(H,30,33,34)