[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C17H14BrClN2O5 MolecularWeight: 441.66046

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C17H14BrClN2O5/c18-10-6-14-15(25-4-3-24-14)7-13(10)21-16(22)8-26-17(23)9-1-2-11(19)12(20)5-9/h1-2,5-7H,3-4,8,20H2,(H,21,22)