2-[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(indan-5-ylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(indan-5-ylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4/c27-22-18-6-1-2-7-19(18)23(28)25(22)17-10-11-20(21(13-17)26(29)30)24-16-9-8-14-4-3-5-15(14)12-16/h1-2,8-13,18-19,24H,3-7H2