2-[[[4-(1-adamantyl)-2-methyl-phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[[4-(1-adamantyl)-2-methyl-phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(1-adamantyl)-2-methyl-anilino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(1-adamantyl)-2-methylanilino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(1-adamantyl)-2-methylanilino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(1-adamantyl)-2-methyl-anilino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4/c1-15-7-19(26-11-16-8-17(12-26)10-18(9-16)13-26)5-6-21(15)27-14-28-24(30)20-3-2-4-22(29(32)33)23(20)25(28)31/h2-7,16-18,27H,8-14H2,1H3