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

Systemtic Name: 2-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(2-thienylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-(2-thenylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c23-18-14-5-1-2-6-15(14)19(24)21(18)12-7-8-16(17(10-12)22(25)26)20-11-13-4-3-9-27-13/h1-4,7-10,14-15,20H,5-6,11H2