ethyl 1-[6-[(2,3-dimethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(2,3-dimethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(2,3-dimethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2,3-dimethoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2,3-dimethoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(o-veratrylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O6/c1-4-32-21(27)14-8-10-25(11-9-14)20-17(26(28)29)19(23-13-24-20)22-12-15-6-5-7-16(30-2)18(15)31-3/h5-7,13-14H,4,8-12H2,1-3H3,(H,22,23,24)