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

Systemtic Name: 2-[[(2-methyl-4-nitro-phenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[(2-methyl-4-nitro-anilino)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-methyl-4-nitroanilino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-methyl-4-nitroanilino)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-methyl-4-nitro-anilino)methyl]isoindoline-1,3-quinone Formula: C16H13N3O4 MolecularWeight: 311.29212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13N3O4/c1-10-8-11(19(22)23)6-7-14(10)17-9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-8,17H,9H2,1H3