2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoate

Systemtic Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoate Openeye Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoate CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-3-(nitromethyl)benzoate IUPAC Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoate Traditional Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoate Formula: C17H13Cl2N2O5- MolecularWeight: 396.20152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O5/c18-12-6-4-10(14(19)8-12)5-7-15(22)20-16-11(9-21(25)26)2-1-3-13(16)17(23)24/h1-4,6,8H,5,7,9H2,(H,20,22)(H,23,24)/p-1