2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl naphthalene-1-carboxylate

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl naphthalene-1-carboxylate Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C24H22F3N3O4 MolecularWeight: 473.44439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H22F3N3O4/c25-24(26,27)18-8-9-21(22(16-18)30(32)33)29-12-10-28(11-13-29)14-15-34-23(31)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16H,10-15H2