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

Systemtic Name: methyl 4-[2-[2-(4-nitropyrazol-1-yl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-24-15(21)12-4-2-11(3-5-12)6-7-16-14(20)10-18-9-13(8-17-18)19(22)23/h2-5,8-9H,6-7,10H2,1H3,(H,16,20)