3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate

Systemtic Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Openeye Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate CAS Name: 3-[[3-(3,4-dichlorophenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoate IUPAC Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Traditional Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Formula: C18H15Cl2N2O5- MolecularWeight: 410.2281

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)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O5/c1-10(22(26)27)13-5-4-12(18(24)25)9-16(13)21-17(23)7-3-11-2-6-14(19)15(20)8-11/h2,4-6,8-10H,3,7H2,1H3,(H,21,23)(H,24,25)/p-1