6-chloranyl-N-[2-[(2-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-[(2-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(2-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C18H18ClN3O5/c19-13-10-12(11-16-17(13)27-9-3-8-26-16)18(23)21-7-6-20-14-4-1-2-5-15(14)22(24)25/h1-2,4-5,10-11,20H,3,6-9H2,(H,21,23)