7-[(2,4-dimethoxyphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[(2,4-dimethoxyphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(2,4-dimethoxybenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(2,4-dimethoxybenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(2,4-dimethoxybenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C19H18NO7- MolecularWeight: 372.34872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3)OC

InChI

InChI=1S/C19H19NO7/c1-24-11-4-5-12(15(8-11)25-2)18(21)20-14-10-17-16(9-13(14)19(22)23)26-6-3-7-27-17/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)(H,22,23)/p-1