(E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(1,3-diphenyl-4-pyrazolyl)methylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-keto-but-2-enoate Formula: C20H16N3O3- MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C=CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)/C=C/C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c24-18(11-12-19(25)26)21-13-16-14-23(17-9-5-2-6-10-17)22-20(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,21,24)(H,25,26)/p-1/b12-11+