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

Systemtic Name: ethyl 4-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C19H23N5O4/c1-3-28-19(25)14-6-8-15(9-7-14)22-17-16(24(26)27)18(21-12-20-17)23-10-4-5-13(2)11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21,22)