ethyl 1-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[benzyl-(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[benzyl-(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H29N5O6/c1-3-33-19(29)15-27(14-17-8-6-5-7-9-17)22-20(28(31)32)21(24-16-25-22)26-12-10-18(11-13-26)23(30)34-4-2/h5-9,16,18H,3-4,10-15H2,1-2H3