ethyl 3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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