3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c24-19(7-6-13-10-17-18(30-12-29-17)11-16(13)23(26)27)28-9-3-8-22-15-5-2-1-4-14(15)21-20(22)25/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,25)/b7-6+