methyl 2-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-oxidanylidene-cycloheptyl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-oxidanylidene-cycloheptyl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxo-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-oxo-cycloheptyl]-2-oxo-acetate CAS Name: 2-[1-[3-[[(4-chloroanilino)-oxomethyl]amino]-5-oxo-6-imidazo[2,1-c][1,2,4]triazolyl]-2-oxocycloheptyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxoimidazo[2,1-c][1,2,4]triazol-6-yl]-2-oxocycloheptyl]-2-oxoacetate Traditional Name: 2-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-keto-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-keto-cycloheptyl]-2-keto-acetic acid methyl ester Formula: C21H19ClN6O6 MolecularWeight: 486.86516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1(CCCCCC1=O)C2=NC3=NN=C(N3C2=O)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C(=O)C1(CCCCCC1=O)C2=NC3=NN=C(N3C2=O)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN6O6/c1-34-17(32)15(30)21(10-4-2-3-5-13(21)29)14-16(31)28-18(24-14)26-27-19(28)25-20(33)23-12-8-6-11(22)7-9-12/h6-9H,2-5,10H2,1H3,(H2,23,25,27,33)