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

Systemtic Name: methyl 1-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(benzylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-27-18(24)14-7-9-22(10-8-14)17-15(23(25)26)16(20-12-21-17)19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,19,20,21)