N-[2-[(4-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(4-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c22-18(13-2-7-16-17(12-13)26-11-1-10-25-16)20-9-8-19-14-3-5-15(6-4-14)21(23)24/h2-7,12,19H,1,8-11H2,(H,20,22)