2-[[(3,4-dimethylphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(3,4-dimethylphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3,4-dimethylanilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3,4-dimethylanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3,4-dimethylanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3,4-dimethylanilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O4/c1-10-3-4-12(7-11(10)2)18-9-19-16(21)14-6-5-13(20(23)24)8-15(14)17(19)22/h3-8,18H,9H2,1-2H3