[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)Cl)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)Cl)N)OCC

InChI

InChI=1S/C20H22ClN3O6/c1-3-28-15-9-8-12(10-16(15)29-4-2)23-20(27)24-17(25)11-30-19(26)13-6-5-7-14(21)18(13)22/h5-10H,3-4,11,22H2,1-2H3,(H2,23,24,25,27)