methyl 4-chloranyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-chloranyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)benzoate Openeye Name: methyl 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate CAS Name: 4-chloro-2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)benzoate Traditional Name: 4-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)benzoic acid methyl ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-23-18(22)13-5-4-12(19)10-14(13)20-17(21)11-3-6-15-16(9-11)25-8-2-7-24-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)