methyl 4-methyl-3-[2-(4-nitropyrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-nitropyrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c1-9-3-4-10(14(20)23-2)5-12(9)16-13(19)8-17-7-11(6-15-17)18(21)22/h3-7H,8H2,1-2H3,(H,16,19)