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

Systemtic Name: ethyl 1-[6-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-bromoanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H20BrN5O4 MolecularWeight: 450.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN5O4/c1-2-28-18(25)12-7-9-23(10-8-12)17-15(24(26)27)16(20-11-21-17)22-14-5-3-13(19)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,20,21,22)