2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[cyclopropyl-[(4-isopropylphenyl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[cyclopropyl-(4-isopropylbenzyl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H23N3O4/c1-14(2)16-5-3-15(4-6-16)12-23(17-7-8-17)13-24-21(26)19-10-9-18(25(28)29)11-20(19)22(24)27/h3-6,9-11,14,17H,7-8,12-13H2,1-2H3