(E)-4-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(4-chloro-2-methoxy-5-methylanilino)-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoylamino]-4-keto-but-2-enoic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H13ClN2O5/c1-7-5-9(10(21-2)6-8(7)14)15-13(20)16-11(17)3-4-12(18)19/h3-6H,1-2H3,(H,18,19)(H2,15,16,17,20)/b4-3+