(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(aminocarbonylamino)benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(aminocarbonylamino)benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N5O3/c1-13-17(11-21)18(25(24-13)16-8-3-2-4-9-16)12-28-19(26)14-6-5-7-15(10-14)23-20(22)27/h2-10H,12H2,1H3,(H3,22,23,27)