(E)-4-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[2-(2,4-dichlorophenyl)ethylamino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-keto-but-2-enoic acid Formula: C13H12Cl2N2O4 MolecularWeight: 331.15138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCNC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCNC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H12Cl2N2O4/c14-9-2-1-8(10(15)7-9)5-6-16-13(21)17-11(18)3-4-12(19)20/h1-4,7H,5-6H2,(H,19,20)(H2,16,17,18,21)/b4-3+