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

Systemtic Name: methyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-22-14(19)12-10-11(17(20)21)2-3-13(12)16-6-4-15(5-7-16)8-9-18/h2-3,10,18H,4-9H2,1H3