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

Systemtic Name: ethyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-3-31-22(28)18-12-17(13-20(14-18)25(29)30)21(27)24-10-8-23(9-11-24)19-6-4-16(5-7-19)15(2)26/h4-7,12-14H,3,8-11H2,1-2H3