methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-benzoate

Systemtic Name: methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-benzoate Openeye Name: methyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-benzoate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-6-methylbenzoate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-benzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

InChI

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