[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-pyrazin-2-ylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-pyrazin-2-ylpiperidine-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-pyrazin-2-ylpiperidine-4-carboxylate CAS Name: 1-(2-pyrazinyl)-4-piperidinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 1-pyrazin-2-ylpiperidine-4-carboxylate Traditional Name: 1-pyrazin-2-ylisonipecotic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H22ClN5O5 MolecularWeight: 495.91498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=NC=CN=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=NC=CN=C4

InChI

InChI=1S/C24H22ClN5O5/c25-19-14-18(30(33)34)6-7-20(19)28-23(31)22(16-4-2-1-3-5-16)35-24(32)17-8-12-29(13-9-17)21-15-26-10-11-27-21/h1-7,10-11,14-15,17,22H,8-9,12-13H2,(H,28,31)