ethyl 5-azanyl-1-[4-[(2-chloranyl-4,6-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(2-chloranyl-4,6-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(2-chloro-4,6-dimethoxy-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-chloro-4,6-dimethoxyanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-chloro-4,6-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-chloro-4,6-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=C(C=C(C=C3Cl)OC)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)OC)OC)N

InChI

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