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ethyl 3-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-benzoate

ethyl 3-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name:ethyl 3-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-benzoate
Openeye Name:ethyl 3-nitro-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzoate
CAS Name:3-nitro-5-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]benzoic acid ethyl ester
IUPAC Name:ethyl 3-nitro-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzoate
Traditional Name:3-nitro-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzoic acid ethyl ester
Formula: C22H25N3O6
MolecularWeight: 427.4504
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H25N3O6/c1-2-30-22(27)18-14-17(15-19(16-18)25(28)29)21(26)24-10-8-23(9-11-24)12-13-31-20-6-4-3-5-7-20/h3-7,14-16H,2,8-13H2,1H3


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