methyl 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H18ClNO5/c1-11-4-5-12(19(23)24-2)9-15(11)21-18(22)13-8-14(20)17-16(10-13)25-6-3-7-26-17/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22)