ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate CAS Name: 4-[[[[3-[[(4-ethoxycarbonylanilino)-oxomethyl]amino]-1H-1,2,4-triazol-5-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate Traditional Name: 4-[[3-[(4-carbethoxyphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoic acid ethyl ester Formula: C22H23N7O6 MolecularWeight: 481.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC(=NN2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC(=NN2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H23N7O6/c1-3-34-17(30)13-5-9-15(10-6-13)23-21(32)26-19-25-20(29-28-19)27-22(33)24-16-11-7-14(8-12-16)18(31)35-4-2/h5-12H,3-4H2,1-2H3,(H5,23,24,25,26,27,28,29,32,33)