ethyl 4-azido-5-[(4-bromophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-azido-5-[(4-bromophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-azido-5-[(4-bromophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 4-azido-5-[(4-bromoanilino)-oxomethyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-azido-5-[(4-bromophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 4-azido-5-[(4-bromophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H17BrN6O4 MolecularWeight: 485.29078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17BrN6O4/c1-3-31-20(29)17-16(24-26-22)18(19(28)23-13-6-4-12(21)5-7-13)27(25-17)14-8-10-15(30-2)11-9-14/h4-11H,3H2,1-2H3,(H,23,28)