[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C17H19ClN4O5 MolecularWeight: 394.80956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H19ClN4O5/c1-11-8-12(2)21(20-11)7-3-6-19-16(23)10-27-17(24)13-4-5-14(18)15(9-13)22(25)26/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,23)