methyl 5-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate Openeye Name: methyl 5-nitro-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]benzoate CAS Name: 5-nitro-2-[(1-pyridin-4-yl-4-piperidinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoate Traditional Name: 5-nitro-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]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-])NCC2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2CCN(CC2)C3=CC=NC=C3

InChI

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