2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 2-methyl-7-(2-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=C(C=C3OC4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=C(C=C3OC4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5/c1-12-7-8-15-17(9-12)28-19-11-14(23(25)26)10-18(20(19)21(24)22-15)27-16-6-4-3-5-13(16)2/h3-11H,1-2H3,(H,22,24)