1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-phenyl]ethanone Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11(20)12-3-5-14(15(9-12)19(21)22)18-13-4-6-16-17(10-13)24-8-2-7-23-16/h3-6,9-10,18H,2,7-8H2,1H3