1-bromanyl-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(5-methylidene-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanoic acid

Systemtic Name: 1-bromanyl-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(5-methylidene-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanoic acid Openeye Name: 1-bromo-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(5-methylene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid CAS Name: 1-bromo-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(5-methylene-4-oxo-2-sulfanylidene-3-thiazolidinyl)acetic acid IUPAC Name: 1-bromo-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(5-methylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid Traditional Name: 1-bromo-2-nitro-4-[(E)-prop-1-enyl]benzene; 2-(4-keto-5-methylene-2-thioxo-thiazolidin-3-yl)acetic acid Formula: C15H13BrN2O5S2 MolecularWeight: 445.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)Br)[N+](=O)[O-].C=C1C(=O)N(C(=S)S1)CC(=O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)Br)[N+](=O)[O-].C=C1C(=O)N(C(=S)S1)CC(=O)O

InChI

InChI=1S/C9H8BrNO2.C6H5NO3S2/c1-2-3-7-4-5-8(10)9(6-7)11(12)13;1-3-5(10)7(2-4(8)9)6(11)12-3/h2-6H,1H3;1-2H2,(H,8,9)/b3-2+;