ethyl 1-[3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[(2-indoxazen-3-ylacetyl)amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O4/c1-2-28-21(27)17-10-11-25(23-17)15-7-5-6-14(12-15)22-20(26)13-18-16-8-3-4-9-19(16)29-24-18/h3-12H,2,13H2,1H3,(H,22,26)