3-[3-(4-methoxyphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-[3-(4-methoxyphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[3-(4-methoxyphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[3-(4-methoxyphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[3-(4-methoxyphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-12(21(25)26)16-9-6-14(19(23)24)11-17(16)20-18(22)10-5-13-3-7-15(27-2)8-4-13/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,20,22)(H,23,24)