methyl 11-(2-chloranylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-chloranylethanoylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[(2-chloroacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[(2-chloro-1-oxoethyl)amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[(2-chloroacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[(2-chloroacetyl)amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC(=O)CCl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NC(=O)CCl

InChI

InChI=1S/C18H16ClNO4/c1-23-18(22)11-6-7-15-14(8-11)17(20-16(21)9-19)13-5-3-2-4-12(13)10-24-15/h2-8,17H,9-10H2,1H3,(H,20,21)