(E)-4-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)anilino]-4-keto-but-2-enoic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C18H19N3O5/c1-4-26-18(25)17-11(2)20-21(12(17)3)14-7-5-13(6-8-14)19-15(22)9-10-16(23)24/h5-10H,4H2,1-3H3,(H,19,22)(H,23,24)/b10-9+