methyl 4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: methyl 4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: methyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(cyclopropanecarbonyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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