methyl 5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzoate

Systemtic Name: methyl 5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzoate Openeye Name: methyl 5-nitro-2-[(1-pyrimidin-2-yl-3-piperidyl)amino]benzoate CAS Name: 5-nitro-2-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzoate Traditional Name: 5-nitro-2-[[1-(2-pyrimidyl)-3-piperidyl]amino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C17H19N5O4/c1-26-16(23)14-10-13(22(24)25)5-6-15(14)20-12-4-2-9-21(11-12)17-18-7-3-8-19-17/h3,5-8,10,12,20H,2,4,9,11H2,1H3