2-[(1,3,3-trimethyl-2-methylidene-6-nitro-indol-5-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1,3,3-trimethyl-2-methylidene-6-nitro-indol-5-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1,3,3-trimethyl-2-methylene-6-nitro-indolin-5-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1,3,3-trimethyl-2-methylene-6-nitro-5-indolyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1,3,3-trimethyl-2-methylidene-6-nitroindol-5-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1,3,3-trimethyl-2-methylene-6-nitro-indolin-5-yl)methyl]isoindoline-1,3-quinone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)N(C2=CC(=C(C=C21)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C(=C)N(C2=CC(=C(C=C21)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H19N3O4/c1-12-21(2,3)16-9-13(17(24(27)28)10-18(16)22(12)4)11-23-19(25)14-7-5-6-8-15(14)20(23)26/h5-10H,1,11H2,2-4H3