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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-23-14(20)11-4-2-10(3-5-11)8-15-13(19)9-17-7-6-12(16-17)18(21)22/h2-7H,8-9H2,1H3,(H,15,19)