1,11-dinitrobenzo[d][2]benzoxepine-5,7-dione

Systemtic Name: 1,11-dinitrobenzo[d][2]benzoxepine-5,7-dione Openeye Name: 1,11-dinitrobenzo[d][2]benzoxepine-5,7-dione CAS Name: 1,11-dinitrobenzo[d][2]benzoxepin-5,7-dione IUPAC Name: 1,11-dinitrobenzo[d][2]benzoxepine-5,7-dione Traditional Name: 1,11-dinitrobenzo[d][2]benzoxepin-5,7-quinone Formula: C14H6N2O7 MolecularWeight: 314.20664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC2=O

InChI

InChI=1S/C14H6N2O7/c17-13-7-3-1-5-9(15(19)20)11(7)12-8(14(18)23-13)4-2-6-10(12)16(21)22/h1-6H