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

Systemtic Name: 7-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(3,5-dimethylisoxazole-4-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(3,5-dimethylisoxazole-4-carbonyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C16H15N2O6- MolecularWeight: 331.3001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C16H16N2O6/c1-8-14(9(2)24-18-8)15(19)17-11-7-13-12(6-10(11)16(20)21)22-4-3-5-23-13/h6-7H,3-5H2,1-2H3,(H,17,19)(H,20,21)/p-1