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

Systemtic Name: 2-[[(4-methyl-3-nitro-phenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-methyl-3-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-methyl-3-nitroanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-methyl-3-nitroanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-methyl-3-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)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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