methyl 5-nitro-2-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: methyl 5-nitro-2-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate Openeye Name: methyl 5-nitro-2-[4-piperidyl(4-pyridylmethyl)amino]benzoate CAS Name: 5-nitro-2-[4-piperidinyl(pyridin-4-ylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 5-nitro-2-[4-piperidyl(4-pyridylmethyl)amino]benzoic acid methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(CC2=CC=NC=C2)C3CCNCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(CC2=CC=NC=C2)C3CCNCC3

InChI

InChI=1S/C19H22N4O4/c1-27-19(24)17-12-16(23(25)26)2-3-18(17)22(15-6-10-21-11-7-15)13-14-4-8-20-9-5-14/h2-5,8-9,12,15,21H,6-7,10-11,13H2,1H3