[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5S2/c1-24-17-12-14(19-26-9-10-27-19)6-7-16(17)25-18(21)8-5-13-3-2-4-15(11-13)20(22)23/h2-8,11-12,19H,9-10H2,1H3/b8-5+