2-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-keto-ethyl]benzoic acid Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=CC=C3C(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=CC=C3C(=O)O)Cl)OC1

InChI

InChI=1S/C18H16ClNO5/c19-13-9-15-16(25-7-3-6-24-15)10-14(13)20-17(21)8-11-4-1-2-5-12(11)18(22)23/h1-2,4-5,9-10H,3,6-8H2,(H,20,21)(H,22,23)