4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-3-nitro-benzamide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O6/c21-19(25)13-5-6-14(15(11-13)24(27)28)22-7-9-23(10-8-22)20(26)18-12-29-16-3-1-2-4-17(16)30-18/h1-6,11,18H,7-10,12H2,(H2,21,25)/t18-/m0/s1