ethyl 5-azanyl-1-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl)N

InChI

InChI=1S/C21H21ClN4O5/c1-4-31-21(28)14-11-24-26(19(14)23)13-7-5-12(6-8-13)20(27)25-16-9-15(22)17(29-2)10-18(16)30-3/h5-11H,4,23H2,1-3H3,(H,25,27)