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

Systemtic Name: ethyl 3-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-(4-benzoylpiperazine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzoylpiperazine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzoylpiperazine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-30-21(27)17-12-16(13-18(14-17)24(28)29)20(26)23-10-8-22(9-11-23)19(25)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3