ethyl 1-[6-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(2-azanyl-2-oxidanylidene-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-amino-2-oxo-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(2-amino-2-oxoethyl)phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-amino-2-oxoethyl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-amino-2-keto-ethyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O6/c1-2-30-20(27)14-7-9-24(10-8-14)18-17(25(28)29)19(23-12-22-18)31-15-5-3-13(4-6-15)11-16(21)26/h3-6,12,14H,2,7-11H2,1H3,(H2,21,26)