(E)-4-[(4-bromanyl-3-methoxycarbonyl-phenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-bromanyl-3-methoxycarbonyl-phenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-bromo-3-methoxycarbonyl-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-bromo-3-methoxycarbonylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-bromo-3-methoxycarbonylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-bromo-3-carbomethoxy-anilino)-4-keto-but-2-enoic acid Formula: C12H10BrNO5 MolecularWeight: 328.1155

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C=CC(=O)O)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C(=O)O)Br

InChI

InChI=1S/C12H10BrNO5/c1-19-12(18)8-6-7(2-3-9(8)13)14-10(15)4-5-11(16)17/h2-6H,1H3,(H,14,15)(H,16,17)/b5-4+