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

Systemtic Name: 2-[[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C14H10BrN2O4S- MolecularWeight: 382.2092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)C=CC2=CC=C(S2)Br)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)/C=C/C2=CC=C(S2)Br)[O-]

InChI

InChI=1S/C14H11BrN2O4S/c15-13-5-2-11(22-13)3-6-14(19)16-8-9-7-10(17(20)21)1-4-12(9)18/h1-7,18H,8H2,(H,16,19)/p-1/b6-3+