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

Systemtic Name: 2-[[(2-methyl-5-nitro-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2-methyl-5-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-methyl-5-nitroanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-methyl-5-nitroanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2-methyl-5-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H12N4O6 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6/c1-9-2-3-11(20(25)26)7-14(9)17-8-18-15(21)12-5-4-10(19(23)24)6-13(12)16(18)22/h2-7,17H,8H2,1H3