[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H20ClNO6/c1-26-17-7-5-15(22)12-16(17)23-20(24)13-29-21(25)8-4-14-3-6-18-19(11-14)28-10-2-9-27-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,24)/b8-4+