methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoate Openeye Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoate CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitrobenzoate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzoic acid methyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-11-9-12(2)19(18-11)8-4-7-17-15-6-5-13(20(22)23)10-14(15)16(21)24-3/h5-6,9-10,17H,4,7-8H2,1-3H3