2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 2-methyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C14H9N3O6 MolecularWeight: 315.23776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O6/c1-7-2-3-9-11(4-7)23-12-6-8(16(19)20)5-10(17(21)22)13(12)14(18)15-9/h2-6H,1H3,(H,15,18)