ethyl 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Openeye Name: ethyl 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate CAS Name: 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Traditional Name: 4-(9-nitro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C2C3=C(C=CC(=C3)[N+](=O)[O-])OCC4=C2N=CC=C4)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=C2C3=C(C=CC(=C3)[N+](=O)[O-])OCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C21H21N3O5/c1-2-28-21(25)23-10-7-14(8-11-23)19-17-12-16(24(26)27)5-6-18(17)29-13-15-4-3-9-22-20(15)19/h3-6,9,12H,2,7-8,10-11,13H2,1H3