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

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C14H13ClN4O5 MolecularWeight: 352.72982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C14H13ClN4O5/c1-8-5-12(18(2)17-8)16-13(20)7-24-14(21)10-4-3-9(15)6-11(10)19(22)23/h3-6H,7H2,1-2H3,(H,16,20)