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

Systemtic Name: ethyl 3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-(4-isobutyrylpiperazine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-4-27-18(24)14-9-13(10-15(11-14)21(25)26)17(23)20-7-5-19(6-8-20)16(22)12(2)3/h9-12H,4-8H2,1-3H3