(E)-4-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(4-bromo-2,6-dimethyl-phenyl)carbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(4-bromo-2,6-dimethylanilino)-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(4-bromo-2,6-dimethyl-phenyl)carbamoylamino]-4-keto-but-2-enoic acid Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)NC(=O)C=CC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)NC(=O)/C=C/C(=O)O)C)Br

InChI

InChI=1S/C13H13BrN2O4/c1-7-5-9(14)6-8(2)12(7)16-13(20)15-10(17)3-4-11(18)19/h3-6H,1-2H3,(H,18,19)(H2,15,16,17,20)/b4-3+