ethyl 1-[6-[(2-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(2-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-methoxyanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(2-methoxyanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

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