ethyl 2-chloranyl-5-[[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-en-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-en-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[(E)-3-ethoxy-1,2-dimethyl-3-oxo-prop-1-enyl]carbamoylamino]benzoate CAS Name: 2-chloro-5-[[[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]carbamoylamino]benzoate Traditional Name: 2-chloro-5-[[(E)-3-ethoxy-3-keto-1,2-dimethyl-prop-1-enyl]carbamoylamino]benzoic acid ethyl ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC(=C(C)C(=O)OCC)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)N/C(=C(\C)/C(=O)OCC)/C)Cl

InChI

InChI=1S/C17H21ClN2O5/c1-5-24-15(21)10(3)11(4)19-17(23)20-12-7-8-14(18)13(9-12)16(22)25-6-2/h7-9H,5-6H2,1-4H3,(H2,19,20,23)/b11-10+