4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol

Systemtic Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol Openeye Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol IUPAC Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]pyrocatechol Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=CC(=C(C=C3)O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=CC(=C(C=C3)O)O)OC1

InChI

InChI=1S/C16H17NO4/c18-13-4-2-11(8-14(13)19)10-17-12-3-5-15-16(9-12)21-7-1-6-20-15/h2-5,8-9,17-19H,1,6-7,10H2