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

Systemtic Name: ethyl 1-[5-nitro-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(benzylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-4-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylamino)-5-nitropyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(benzylamino)-5-nitro-pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-2-28-18(25)15-8-10-23(11-9-15)19-21-13-16(24(26)27)17(22-19)20-12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,20,21,22)