1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C16H16NO4- MolecularWeight: 286.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C(=O)[O-]

InChI

InChI=1S/C16H17NO4/c1-10-8-13(16(18)19)11(2)17(10)12-4-5-14-15(9-12)21-7-3-6-20-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)/p-1