2-[4-(cyclohexylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(cyclohexylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(cyclohexylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(cyclohexylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(cyclohexylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(cyclohexylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-19-15-8-4-5-9-16(15)20(25)22(19)14-10-11-17(18(12-14)23(26)27)21-13-6-2-1-3-7-13/h4-5,10-13,15-16,21H,1-3,6-9H2