2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-nitrobenzoate

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-nitrobenzoate Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 2-[4-(3-chlorophenyl)piperazino]ethyl ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O4/c20-15-4-3-5-16(14-15)22-10-8-21(9-11-22)12-13-27-19(24)17-6-1-2-7-18(17)23(25)26/h1-7,14H,8-13H2