ethyl 1-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-anilino-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-anilino-5-nitro-4-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-anilino-5-nitropyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-anilino-5-nitro-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-2-27-18(24)13-8-10-22(11-9-13)17-15(23(25)26)16(19-12-20-17)21-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,19,20,21)