methyl 2-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(cyclohexylamino)-oxomethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(cyclohexylcarbamoyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C19H26N4O5/c1-28-18(24)16-13-15(23(26)27)7-8-17(16)21-9-11-22(12-10-21)19(25)20-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,20,25)