methyl 5-azanyl-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-ethoxycarbonylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-carbethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C21H20N4O5/c1-3-30-20(27)14-4-8-15(9-5-14)24-19(26)13-6-10-16(11-7-13)25-18(22)17(12-23-25)21(28)29-2/h4-12H,3,22H2,1-2H3,(H,24,26)