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

Systemtic Name: 4-[4-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]pyrazol-1-yl]butyrate Formula: C16H17N4O6- MolecularWeight: 361.32938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6/c1-11-7-13(4-5-14(11)20(24)25)26-10-15(21)18-12-8-17-19(9-12)6-2-3-16(22)23/h4-5,7-9H,2-3,6,10H2,1H3,(H,18,21)(H,22,23)/p-1