methyl 2-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-12-6-5-9-22(10-12)17-15(23(25)26)16(19-11-20-17)21-14-8-4-3-7-13(14)18(24)27-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,19,20,21)