3-(2,4-dichlorophenyl)propanamide; methyl 3-nitrobenzoate

Systemtic Name: 3-(2,4-dichlorophenyl)propanamide; methyl 3-nitrobenzoate Openeye Name: 3-(2,4-dichlorophenyl)propanamide; methyl 3-nitrobenzoate CAS Name: 3-(2,4-dichlorophenyl)propanamide; 3-nitrobenzoic acid methyl ester IUPAC Name: 3-(2,4-dichlorophenyl)propanamide; methyl 3-nitrobenzoate Traditional Name: 3-(2,4-dichlorophenyl)propionamide; 3-nitrobenzoic acid methyl ester Formula: C17H16Cl2N2O5 MolecularWeight: 399.22534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)[N+](=O)[O-].C1=CC(=C(C=C1Cl)Cl)CCC(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)[N+](=O)[O-].C1=CC(=C(C=C1Cl)Cl)CCC(=O)N

InChI

InChI=1S/C9H9Cl2NO.C8H7NO4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;1-13-8(10)6-3-2-4-7(5-6)9(11)12/h1,3,5H,2,4H2,(H2,12,13);2-5H,1H3