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

Systemtic Name: methyl 2-[[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]amino]-6-methyl-benzoate Openeye Name: methyl 2-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]amino]-6-methyl-benzoate CAS Name: 2-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]amino]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]amino]-6-methylbenzoate Traditional Name: 2-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]amino]-6-methyl-benzoic acid methyl ester Formula: C19H19BrN2O5 MolecularWeight: 435.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C(=O)OC

InChI

InChI=1S/C19H19BrN2O5/c1-11-4-3-5-13(18(11)19(24)25-2)21-10-17(23)22-14-9-16-15(8-12(14)20)26-6-7-27-16/h3-5,8-9,21H,6-7,10H2,1-2H3,(H,22,23)