2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C17H14N3O5S- MolecularWeight: 372.37516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H15N3O5S/c1-25-13-6-2-11(3-7-13)4-9-16(22)19-17(26)18-14-10-12(20(23)24)5-8-15(14)21/h2-10,21H,1H3,(H2,18,19,22,26)/p-1/b9-4+