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

Systemtic Name: 2-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(3-chloro-4-methyl-anilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[(3-chloro-4-methyl-anilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O)Cl

InChI

InChI=1S/C16H17ClN2O2/c1-10-6-7-11(8-14(10)17)18-9-19-15(20)12-4-2-3-5-13(12)16(19)21/h2-3,6-8,12-13,18H,4-5,9H2,1H3