2-nitro-5-(prop-2-enylamino)benzoic acid

Systemtic Name: 2-nitro-5-(prop-2-enylamino)benzoic acid Openeye Name: 5-(allylamino)-2-nitro-benzoic acid CAS Name: 2-nitro-5-(prop-2-enylamino)benzoic acid IUPAC Name: 2-nitro-5-(prop-2-enylamino)benzoic acid Traditional Name: 5-(allylamino)-2-nitro-benzoic acid Formula: C10H10N2O4 MolecularWeight: 222.1974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H10N2O4/c1-2-5-11-7-3-4-9(12(15)16)8(6-7)10(13)14/h2-4,6,11H,1,5H2,(H,13,14)