ethyl 3-nitro-5-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-[4-(4-isopropylbenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-(4-cumoylpiperazine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6/c1-4-33-24(30)20-13-19(14-21(15-20)27(31)32)23(29)26-11-9-25(10-12-26)22(28)18-7-5-17(6-8-18)16(2)3/h5-8,13-16H,4,9-12H2,1-3H3