2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoic acid Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoic acid CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-5-nitrobenzoic acid IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitrobenzoic acid Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoic acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H18N4O4/c1-10-8-11(2)18(17-10)7-3-6-16-14-5-4-12(19(22)23)9-13(14)15(20)21/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,20,21)