2-[[4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-but-2-ynyl]amino]ethanoic acid

Systemtic Name: 2-[[4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-but-2-ynyl]amino]ethanoic acid Openeye Name: 2-[[4-[(4-nitrophenyl)methoxy]-4-oxo-but-2-ynyl]amino]acetic acid CAS Name: 2-[[4-[(4-nitrophenyl)methoxy]-4-oxobut-2-ynyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-nitrophenyl)methoxy]-4-oxobut-2-ynyl]amino]acetic acid Traditional Name: 2-[[4-keto-4-(4-nitrobenzyl)oxy-but-2-ynyl]amino]acetic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C#CCNCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C#CCNCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c16-12(17)8-14-7-1-2-13(18)21-9-10-3-5-11(6-4-10)15(19)20/h3-6,14H,7-9H2,(H,16,17)