2-[[(Z)-3-nitroso-4-oxidanylidene-pent-2-en-2-yl]amino]benzoic acid

Systemtic Name: 2-[[(Z)-3-nitroso-4-oxidanylidene-pent-2-en-2-yl]amino]benzoic acid Openeye Name: 2-[[(Z)-1-methyl-2-nitroso-3-oxo-but-1-enyl]amino]benzoic acid CAS Name: 2-[[(Z)-3-nitroso-4-oxopent-2-en-2-yl]amino]benzoic acid IUPAC Name: 2-[[(Z)-3-nitroso-4-oxopent-2-en-2-yl]amino]benzoic acid Traditional Name: 2-[[(Z)-3-keto-1-methyl-2-nitroso-but-1-enyl]amino]benzoic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)N=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

C/C(=C(\C(=O)C)/N=O)/NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H12N2O4/c1-7(11(14-18)8(2)15)13-10-6-4-3-5-9(10)12(16)17/h3-6,13H,1-2H3,(H,16,17)/b11-7-