ethyl 1-[4-[4-(3-methoxy-3-oxidanylidene-propanoyl)phenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(3-methoxy-3-oxidanylidene-propanoyl)phenoxy]-3-nitro-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[4-(3-methoxy-3-oxo-propanoyl)phenoxy]-3-nitro-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[4-[4-(3-methoxy-1,3-dioxopropyl)phenoxy]-3-nitro-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(3-methoxy-3-oxopropanoyl)phenoxy]-3-nitropyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[4-(3-keto-3-methoxy-propanoyl)phenoxy]-3-nitro-2-pyridyl]isonipecotic acid ethyl ester Formula: C23H25N3O8 MolecularWeight: 471.4599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O8/c1-3-33-23(29)16-9-12-25(13-10-16)22-21(26(30)31)19(8-11-24-22)34-17-6-4-15(5-7-17)18(27)14-20(28)32-2/h4-8,11,16H,3,9-10,12-14H2,1-2H3