2-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(5-methyl-2-thienyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C15H13N2O4S- MolecularWeight: 317.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H14N2O4S/c1-10-2-4-13(22-10)5-7-15(19)16-9-11-8-12(17(20)21)3-6-14(11)18/h2-8,18H,9H2,1H3,(H,16,19)/p-1/b7-5+