(2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one

Systemtic Name: (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one Openeye Name: (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one CAS Name: (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone IUPAC Name: (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Traditional Name: (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C\C=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7/c21-17(18-7-2-1-3-8-18)13(19(22)23)6-4-5-12-9-15-16(27-11-26-15)10-14(12)20(24)25/h4-6,9-10H,1-3,7-8,11H2/b5-4+,13-6+