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

Systemtic Name: ethyl 5-methyl-1-[4-[(2-nitrophenyl)carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(2-nitrobenzoyl)amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[(2-nitrophenyl)-oxomethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(2-nitrobenzoyl)amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(2-nitrobenzoyl)amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-3-29-20(26)17-12-21-23(13(17)2)15-10-8-14(9-11-15)22-19(25)16-6-4-5-7-18(16)24(27)28/h4-12H,3H2,1-2H3,(H,22,25)