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

Systemtic Name: 2-[3-nitro-4-(pyridin-2-ylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(2-pyridylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(2-pyridinylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(pyridin-2-ylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-(2-pyridylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4/c25-19-15-6-1-2-7-16(15)20(26)23(19)14-8-9-17(18(11-14)24(27)28)22-12-13-5-3-4-10-21-13/h1-5,8-11,15-16,22H,6-7,12H2