5-[(3-nitrophenyl)methoxy]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[(3-nitrophenyl)methoxy]-2-(propanoylamino)benzoic acid Openeye Name: 5-[(3-nitrophenyl)methoxy]-2-(propanoylamino)benzoic acid CAS Name: 5-[(3-nitrophenyl)methoxy]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[(3-nitrophenyl)methoxy]-2-(propanoylamino)benzoic acid Traditional Name: 5-(3-nitrobenzyl)oxy-2-propionamido-benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O6/c1-2-16(20)18-15-7-6-13(9-14(15)17(21)22)25-10-11-4-3-5-12(8-11)19(23)24/h3-9H,2,10H2,1H3,(H,18,20)(H,21,22)