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

Systemtic Name: methyl 4-[[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-10-7-13(19(22)23)17-18(10)9-14(20)16-8-11-3-5-12(6-4-11)15(21)24-2/h3-7H,8-9H2,1-2H3,(H,16,20)