[5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate

Systemtic Name: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [5-methoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-methoxy-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-methoxy-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC=CS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO6S/c1-27-16-7-9-18(19(23)10-8-17-6-3-11-29-17)20(13-16)28-21(24)14-4-2-5-15(12-14)22(25)26/h2-13H,1H3/b10-8+