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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-12-4-3-9-22(10-12)17-15(23(25)26)16(19-11-20-17)21-14-7-5-13(6-8-14)18(24)27-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)