4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-nitroanilino)ethyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-nitroanilino)ethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-nitroanilino)ethyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[2-(4-nitroanilino)ethyl]butyramide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c25-18(15-2-8-19-20(14-15)30-13-1-12-29-19)7-9-21(26)23-11-10-22-16-3-5-17(6-4-16)24(27)28/h2-6,8,14,22H,1,7,9-13H2,(H,23,26)