methyl 3-nitro-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]benzoate

Systemtic Name: methyl 3-nitro-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[(1-benzyl-4-piperidyl)amino]methyl]-3-nitro-benzoate CAS Name: 3-nitro-4-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-nitrobenzoate Traditional Name: 4-[[(1-benzyl-4-piperidyl)amino]methyl]-3-nitro-benzoic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-28-21(25)17-7-8-18(20(13-17)24(26)27)14-22-19-9-11-23(12-10-19)15-16-5-3-2-4-6-16/h2-8,13,19,22H,9-12,14-15H2,1H3