(2-chloranylquinolin-3-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-chloro-3-quinolyl)methyl (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 (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (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 (2-chloro-3-quinolyl)methyl ester Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O6/c21-20-14(7-12-3-1-2-4-15(12)22-20)10-27-19(24)6-5-13-8-17-18(29-11-28-17)9-16(13)23(25)26/h1-9H,10-11H2/b6-5+