ethyl 1-[5-[bis(chloranyl)methyl]-4-nitro-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[bis(chloranyl)methyl]-4-nitro-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(dichloromethyl)-4-nitro-2-phenyl-pyrazol-3-yl]piperidine-4-carboxylate CAS Name: 1-[5-(dichloromethyl)-4-nitro-2-phenyl-3-pyrazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(dichloromethyl)-4-nitro-2-phenylpyrazol-3-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(dichloromethyl)-4-nitro-2-phenyl-pyrazol-3-yl]isonipecotic acid ethyl ester Formula: C18H20Cl2N4O4 MolecularWeight: 427.2818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20Cl2N4O4/c1-2-28-18(25)12-8-10-22(11-9-12)17-15(24(26)27)14(16(19)20)21-23(17)13-6-4-3-5-7-13/h3-7,12,16H,2,8-11H2,1H3