ethyl 5-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(2-methyl-5-nitroanilino)-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-methyl-5-nitroanilino)acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O5/c1-3-31-21(28)17-12-23-25(15-7-5-4-6-8-15)20(17)24-19(27)13-22-18-11-16(26(29)30)10-9-14(18)2/h4-12,22H,3,13H2,1-2H3,(H,24,27)