methyl 11-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(1-cyano-2-ethoxy-2-oxo-ethyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(1-cyano-2-ethoxy-2-oxoethyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(1-cyano-2-ethoxy-2-oxoethyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(1-cyano-2-ethoxy-2-keto-ethyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C#N)C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19NO5/c1-3-26-21(24)17(11-22)19-15-7-5-4-6-14(15)12-27-18-9-8-13(10-16(18)19)20(23)25-2/h4-10,17,19H,3,12H2,1-2H3