ethyl 1-[6-[methyl(prop-2-enyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[methyl(prop-2-enyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[allyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[methyl(prop-2-enyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[methyl(prop-2-enyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[allyl(methyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/c1-4-8-19(3)14-13(21(23)24)15(18-11-17-14)20-9-6-12(7-10-20)16(22)25-5-2/h4,11-12H,1,5-10H2,2-3H3