[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)benzoate Openeye Name: [2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C21H21N5O4/c1-13-6-8-17(9-7-13)26-18(10-14(2)25-26)24-19(27)12-30-20(28)15-4-3-5-16(11-15)23-21(22)29/h3-11H,12H2,1-2H3,(H,24,27)(H3,22,23,29)