[4-[2-(dibutylamino)ethyl]phenyl] 4-nitrobenzoate chloride

Systemtic Name: [4-[2-(dibutylamino)ethyl]phenyl] 4-nitrobenzoate chloride Openeye Name: [4-[2-(dibutylamino)ethyl]phenyl] 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid [4-[2-(dibutylamino)ethyl]phenyl] ester chloride IUPAC Name: [4-[2-(dibutylamino)ethyl]phenyl] 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid [4-[2-(dibutylamino)ethyl]phenyl] ester chloride Formula: C23H30ClN2O4- MolecularWeight: 433.9483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCN(CCCC)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C23H30N2O4.ClH/c1-3-5-16-24(17-6-4-2)18-15-19-7-13-22(14-8-19)29-23(26)20-9-11-21(12-10-20)25(27)28;/h7-14H,3-6,15-18H2,1-2H3;1H/p-1