methyl 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O5/c1-11-7-12(18(22)23-2)3-5-14(11)19-9-17(21)20-13-4-6-15-16(8-13)25-10-24-15/h3-8,19H,9-10H2,1-2H3,(H,20,21)