3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoate

Systemtic Name: 3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoate Openeye Name: 3-[3-(2-naphthyl)propanoylamino]-4-(1-nitroethyl)benzoate CAS Name: 3-[[3-(2-naphthalenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoate IUPAC Name: 3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoate Traditional Name: 3-[3-(2-naphthyl)propanoylamino]-4-(1-nitroethyl)benzoate Formula: C22H19N2O5- MolecularWeight: 391.39666

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=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c1-14(24(28)29)19-10-9-18(22(26)27)13-20(19)23-21(25)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8-10,12-14H,7,11H2,1H3,(H,23,25)(H,26,27)/p-1