[4-chloranyl-2-nitro-5-(2-piperazin-1-ylethyl)phenyl] propanoate

Systemtic Name: [4-chloranyl-2-nitro-5-(2-piperazin-1-ylethyl)phenyl] propanoate Openeye Name: [4-chloro-2-nitro-5-(2-piperazin-1-ylethyl)phenyl] propanoate CAS Name: propanoic acid [4-chloro-2-nitro-5-[2-(1-piperazinyl)ethyl]phenyl] ester IUPAC Name: [4-chloro-2-nitro-5-(2-piperazin-1-ylethyl)phenyl] propanoate Traditional Name: propionic acid [4-chloro-2-nitro-5-(2-piperazinoethyl)phenyl] ester Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C(=C1)CCN2CCNCC2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C=C(C(=C1)CCN2CCNCC2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H20ClN3O4/c1-2-15(20)23-14-9-11(12(16)10-13(14)19(21)22)3-6-18-7-4-17-5-8-18/h9-10,17H,2-8H2,1H3