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

Systemtic Name: ethyl 3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-methyl-2-phenyl-propanoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-methyl-2-phenyl-propanoyl)piperazine-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)C(C)(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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