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

Systemtic Name: 4-[2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoate Formula: C13H11N4O5- MolecularWeight: 303.25024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8-11(17(21)22)6-16(15-8)7-12(18)14-10-4-2-9(3-5-10)13(19)20/h2-6H,7H2,1H3,(H,14,18)(H,19,20)/p-1