ethyl 1-[6-[(3-methoxy-3-oxidanylidene-propyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(3-methoxy-3-oxidanylidene-propyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[benzyl-(3-methoxy-3-oxo-propyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-methoxy-3-oxopropyl)-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[benzyl-(3-methoxy-3-oxopropyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[benzyl-(3-keto-3-methoxy-propyl)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)C1CCN(CC1)C2=C(C(=NC=N2)N(CCC(=O)OC)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CCC(=O)OC)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O6/c1-3-34-23(30)18-9-12-26(13-10-18)21-20(28(31)32)22(25-16-24-21)27(14-11-19(29)33-2)15-17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3