8-methyl-2,4-dinitro-11-(phenylmethyl)-5H-benzo[c][1,5]benzodiazocine-6,12-dione

Systemtic Name: 8-methyl-2,4-dinitro-11-(phenylmethyl)-5H-benzo[c][1,5]benzodiazocine-6,12-dione Openeye Name: 11-benzyl-8-methyl-2,4-dinitro-5H-benzo[c][1,5]benzodiazocine-6,12-dione CAS Name: 8-methyl-2,4-dinitro-11-(phenylmethyl)-5H-benzo[c][1,5]benzodiazocine-6,12-dione IUPAC Name: 11-benzyl-8-methyl-2,4-dinitro-5H-benzo[c][1,5]benzodiazocine-6,12-dione Traditional Name: 11-benzyl-8-methyl-2,4-dinitro-5H-benzo[c][1,5]benzodiazocine-6,12-quinone Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C3=CC(=CC(=C3NC2=O)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C3=CC(=CC(=C3NC2=O)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H16N4O6/c1-13-7-8-18-16(9-13)21(27)23-20-17(10-15(25(29)30)11-19(20)26(31)32)22(28)24(18)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,27)