methyl 2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C16H19N3O5/c1-24-16(21)13-10-12(19(22)23)4-5-14(13)17-6-8-18(9-7-17)15(20)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3