ethyl 4-(8-chloranyl-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(8-chloranyl-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Openeye Name: ethyl 4-(8-chloro-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate CAS Name: 4-(8-chloro-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-chloro-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Traditional Name: 4-(8-chloro-3-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=CC(=CN=C42)[N+](=O)[O-])CC1

Isomeric SMILES

CCOC(=O)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=CC(=CN=C42)[N+](=O)[O-])CC1

InChI

InChI=1S/C21H20ClN3O5/c1-2-29-21(26)24-7-5-13(6-8-24)19-17-4-3-15(22)10-18(17)30-12-14-9-16(25(27)28)11-23-20(14)19/h3-4,9-11H,2,5-8,12H2,1H3