4-[4-[(2-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(2-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(2-methyl-3-nitro-benzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2-methyl-3-nitrobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(2-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=CC=C1[N+](=O)[O-])C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

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