N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-benzamide CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-nitro-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-12(13-6-7-16-17(11-13)26-9-3-8-25-16)19-20-18(22)14-4-2-5-15(10-14)21(23)24/h2,4-7,10-11H,3,8-9H2,1H3,(H,20,22)/b19-12-