methyl 1-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23N5O5/c1-12-4-5-15(28-2)14(10-12)22-17-16(24(26)27)18(21-11-20-17)23-8-6-13(7-9-23)19(25)29-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,21,22)