dimethyl 3-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-chloro-2-methoxy-phenyl)carbamoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(5-chloro-2-methoxyanilino)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(5-chloro-2-methoxy-phenyl)carbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H21ClN4O6 MolecularWeight: 424.83554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C18H21ClN4O6/c1-27-15-5-4-11(19)6-14(15)22-18(26)21-12-9-20-23(10-12)13(7-16(24)28-2)8-17(25)29-3/h4-6,9-10,13H,7-8H2,1-3H3,(H2,21,22,26)