2-[4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-benzoyl]benzoic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O5/c1-14-12-15(2)25(24-14)11-5-10-23-19-9-8-16(13-20(19)26(30)31)21(27)17-6-3-4-7-18(17)22(28)29/h3-4,6-9,12-13,23H,5,10-11H2,1-2H3,(H,28,29)