[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

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