(3R)-N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[(Z)-(4-ethyl-3-nitro-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[(Z)-(4-ethyl-3-nitro-benzylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=NNC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=N\NC(=O)[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-2-13-8-7-12(9-14(13)21(23)24)10-19-20-18(22)17-11-25-15-5-3-4-6-16(15)26-17/h3-10,17H,2,11H2,1H3,(H,20,22)/b19-10-/t17-/m1/s1