2-[[(2,4-dimethyl-6-nitro-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2,4-dimethyl-6-nitro-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2,4-dimethyl-6-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2,4-dimethyl-6-nitroanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2,4-dimethyl-6-nitroanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2,4-dimethyl-6-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6/c1-9-5-10(2)15(14(6-9)21(26)27)18-8-19-16(22)12-4-3-11(20(24)25)7-13(12)17(19)23/h3-7,18H,8H2,1-2H3