[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H17ClN4O5 MolecularWeight: 392.79368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O5/c18-11-5-6-13(14(9-11)22(25)26)17(24)27-10-16(23)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,23)