ethyl 1-[6-[4-(3-methoxy-3-oxidanylidene-propanoyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(3-methoxy-3-oxidanylidene-propanoyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(3-methoxy-3-oxo-propanoyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(3-methoxy-1,3-dioxopropyl)phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(3-methoxy-3-oxopropanoyl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(3-keto-3-methoxy-propanoyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H24N4O8 MolecularWeight: 472.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O8/c1-3-33-22(29)15-8-10-25(11-9-15)20-19(26(30)31)21(24-13-23-20)34-16-6-4-14(5-7-16)17(27)12-18(28)32-2/h4-7,13,15H,3,8-12H2,1-2H3