[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C17H15ClN2O5/c1-9(25-17(22)12-4-2-10(18)6-13(12)19)16(21)20-11-3-5-14-15(7-11)24-8-23-14/h2-7,9H,8,19H2,1H3,(H,20,21)