3,9-dinitro-5,11-bis(phenylmethyl)benzo[c][1,5]benzodiazocine-6,12-dione

Systemtic Name: 3,9-dinitro-5,11-bis(phenylmethyl)benzo[c][1,5]benzodiazocine-6,12-dione Openeye Name: 5,11-dibenzyl-3,9-dinitro-benzo[c][1,5]benzodiazocine-6,12-dione CAS Name: 3,9-dinitro-5,11-bis(phenylmethyl)benzo[c][1,5]benzodiazocine-6,12-dione IUPAC Name: 5,11-dibenzyl-3,9-dinitrobenzo[c][1,5]benzodiazocine-6,12-dione Traditional Name: 5,11-dibenzyl-3,9-dinitro-benzo[c][1,5]benzodiazocine-6,12-quinone Formula: C28H20N4O6 MolecularWeight: 508.4816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N(C4=C(C2=O)C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N(C4=C(C2=O)C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H20N4O6/c33-27-24-14-12-22(32(37)38)16-26(24)30(18-20-9-5-2-6-10-20)28(34)23-13-11-21(31(35)36)15-25(23)29(27)17-19-7-3-1-4-8-19/h1-16H,17-18H2