(E)-4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(4-methylpiperazine-1-carbonyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(4-methylpiperazine-1-carbonyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-(4-methylpiperazine-1-carbonyl)anilino]but-2-enoic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C=CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-18-8-10-19(11-9-18)16(23)12-4-2-3-5-13(12)17-14(20)6-7-15(21)22/h2-7H,8-11H2,1H3,(H,17,20)(H,21,22)/b7-6+