methyl 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate

Systemtic Name: methyl 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Openeye Name: methyl 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate CAS Name: 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Traditional Name: 11-nitro-4-phenyl-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(C3=CC=CC(=C3CO1)C4=CC=CC=C4)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C2=C(C3=CC=CC(=C3CO1)C4=CC=CC=C4)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO5/c1-27-22(24)21-17-11-6-12-19(23(25)26)20(17)16-10-5-9-15(18(16)13-28-21)14-7-3-2-4-8-14/h2-12,21H,13H2,1H3