4-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(4-methyl-3-nitrobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]pyrazol-1-yl]butyrate Formula: C15H15N4O5- MolecularWeight: 331.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-10-4-5-11(7-13(10)19(23)24)15(22)17-12-8-16-18(9-12)6-2-3-14(20)21/h4-5,7-9H,2-3,6H2,1H3,(H,17,22)(H,20,21)/p-1