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

Systemtic Name: 4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-3-nitro-benzaldehyde Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c24-12-14-5-6-15(16(11-14)23(26)27)21-7-9-22(10-8-21)20(25)19-13-28-17-3-1-2-4-18(17)29-19/h1-6,11-12,19H,7-10,13H2/t19-/m0/s1