ethyl 1-[6-[2-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[2-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]hydrazo]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[N'-[2-(2,4-dichlorophenoxy)acetyl]hydrazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H22Cl2N6O6 MolecularWeight: 513.33128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)COC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)COC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22Cl2N6O6/c1-2-33-20(30)12-4-3-7-27(9-12)19-17(28(31)32)18(23-11-24-19)26-25-16(29)10-34-15-6-5-13(21)8-14(15)22/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,25,29)(H,23,24,26)