(phenylmethyl) 4-(3-chloranyl-2-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-chloranyl-2-nitro-phenyl)piperazine-1-carboxylate Openeye Name: benzyl 4-(3-chloro-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-2-nitrophenyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chloro-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-2-nitro-phenyl)piperazine-1-carboxylic acid benzyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O4/c19-15-7-4-8-16(17(15)22(24)25)20-9-11-21(12-10-20)18(23)26-13-14-5-2-1-3-6-14/h1-8H,9-13H2