methyl 3-[[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C24H18N6O6 MolecularWeight: 486.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N6O6/c1-36-24(33)17-12-16(13-19(14-17)30(34)35)22(31)26-27-23(32)20-25-21(15-8-4-2-5-9-15)29(28-20)18-10-6-3-7-11-18/h2-14H,1H3,(H,26,31)(H,27,32)