ethyl 1-[3-[(2-methyl-3-nitro-phenyl)carbonylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[3-[(2-methyl-3-nitro-phenyl)carbonylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[3-[(2-methyl-3-nitro-benzoyl)amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[(2-methyl-3-nitro-benzoyl)amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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