4-(4-methylphenoxy)-2-nitro-benzo[b][1]benzoxepine

Systemtic Name: 4-(4-methylphenoxy)-2-nitro-benzo[b][1]benzoxepine Openeye Name: 4-(4-methylphenoxy)-2-nitro-benzo[b][1]benzoxepine CAS Name: 4-(4-methylphenoxy)-2-nitrobenzo[b][1]benzoxepin IUPAC Name: 4-(4-methylphenoxy)-2-nitrobenzo[b][1]benzoxepine Traditional Name: 4-(4-methylphenoxy)-2-nitro-benzo[b][1]benzoxepin Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO4/c1-14-6-9-17(10-7-14)25-20-12-16(22(23)24)13-21-18(20)11-8-15-4-2-3-5-19(15)26-21/h2-13H,1H3