methyl 2-nitrobenzo[b][1]benzoxepine-4-carboxylate

Systemtic Name: methyl 2-nitrobenzo[b][1]benzoxepine-4-carboxylate Openeye Name: methyl 2-nitrobenzo[b][1]benzoxepine-4-carboxylate CAS Name: 2-nitro-4-benzo[b][1]benzoxepincarboxylic acid methyl ester IUPAC Name: methyl 2-nitrobenzo[b][1]benzoxepine-4-carboxylate Traditional Name: 2-nitrobenzo[b][1]benzoxepin-4-carboxylic acid methyl ester Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1C=CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1C=CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5/c1-21-16(18)13-8-11(17(19)20)9-15-12(13)7-6-10-4-2-3-5-14(10)22-15/h2-9H,1H3