ethyl 1-[6-[(6-chloranyl-1,2-benzoxazol-3-yl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(6-chloranyl-1,2-benzoxazol-3-yl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(6-chloro-1,2-benzoxazol-3-yl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(6-chloro-1,2-benzoxazol-3-yl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(6-chloro-1,2-benzoxazol-3-yl)oxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(6-chloroindoxazen-3-yl)oxy-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H18ClN5O6 MolecularWeight: 447.82912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=NOC4=C3C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=NOC4=C3C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O6/c1-2-29-19(26)11-5-7-24(8-6-11)16-15(25(27)28)18(22-10-21-16)30-17-13-4-3-12(20)9-14(13)31-23-17/h3-4,9-11H,2,5-8H2,1H3