3-[3-[2,6-bis(chloranyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoate

Systemtic Name: 3-[3-[2,6-bis(chloranyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoate Openeye Name: 3-[3-(2,6-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate CAS Name: 3-[[3-(2,6-dichlorophenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoate IUPAC Name: 3-[3-(2,6-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Traditional Name: 3-[3-(2,6-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Formula: C18H15Cl2N2O5- MolecularWeight: 410.2281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCC2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCC2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]

InChI

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