methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitro-benzoate Openeye Name: methyl 4-[[2-[4-(hydroxymethyl)-1-piperidyl]phenyl]methylamino]-3-nitro-benzoate CAS Name: 4-[[2-[4-(hydroxymethyl)-1-piperidinyl]phenyl]methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzoate Traditional Name: 4-[[2-(4-methylolpiperidino)benzyl]amino]-3-nitro-benzoic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2N3CCC(CC3)CO)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2N3CCC(CC3)CO)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-29-21(26)16-6-7-18(20(12-16)24(27)28)22-13-17-4-2-3-5-19(17)23-10-8-15(14-25)9-11-23/h2-7,12,15,22,25H,8-11,13-14H2,1H3