ethyl 5-methyl-1-[4-[2-[(2-nitrophenyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[2-[(2-nitrophenyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[2-(2-nitroanilino)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[2-(2-nitroanilino)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[2-(2-nitroanilino)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[2-(2-nitroanilino)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O5/c1-3-32-22(29)18-14-25-26(15(18)2)17-10-8-16(9-11-17)21(28)24-13-12-23-19-6-4-5-7-20(19)27(30)31/h4-11,14,23H,3,12-13H2,1-2H3,(H,24,28)