4-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)anilino]-4-keto-butyric acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/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/h5-8H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)