(3S)-N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3S)-N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-N'-(3-nitro-4-pyrrolidin-1-yl-benzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-N'-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-N'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-N'-(3-nitro-4-pyrrolidino-benzoyl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NNC(=O)[C@@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c25-19(13-7-8-14(15(11-13)24(27)28)23-9-3-4-10-23)21-22-20(26)18-12-29-16-5-1-2-6-17(16)30-18/h1-2,5-8,11,18H,3-4,9-10,12H2,(H,21,25)(H,22,26)/t18-/m0/s1