ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O5/c1-4-25-16(22)12-5-7-13(8-6-12)17-14(21)9-19-11(3)15(20(23)24)10(2)18-19/h5-8H,4,9H2,1-3H3,(H,17,21)