ethyl 4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C18H21N5O4/c1-2-27-18(24)13-6-8-14(9-7-13)21-16-15(23(25)26)17(20-12-19-16)22-10-4-3-5-11-22/h6-9,12H,2-5,10-11H2,1H3,(H,19,20,21)