5-chloranyl-2-[[(4-nitrophenyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[[(4-nitrophenyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-[(4-nitroanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-[(4-nitroanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-[(4-nitroanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-[(4-nitroanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C15H14ClN3O4 MolecularWeight: 335.74236

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)CNC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)CNC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN3O4/c16-9-1-6-12-13(7-9)15(21)18(14(12)20)8-17-10-2-4-11(5-3-10)19(22)23/h1-5,12-13,17H,6-8H2