methyl 1-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H18BrN5O4 MolecularWeight: 436.25992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN5O4/c1-27-17(24)11-5-7-22(8-6-11)16-14(23(25)26)15(19-10-20-16)21-13-4-2-3-12(18)9-13/h2-4,9-11H,5-8H2,1H3,(H,19,20,21)