3-[3-(2-chlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate

Systemtic Name: 3-[3-(2-chlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Openeye Name: 3-[3-(2-chlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate CAS Name: 3-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoate IUPAC Name: 3-[3-(2-chlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Traditional Name: 3-[3-(2-chlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoate Formula: C18H16ClN2O5- MolecularWeight: 375.78304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-11(21(25)26)14-8-6-13(18(23)24)10-16(14)20-17(22)9-7-12-4-2-3-5-15(12)19/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)(H,23,24)/p-1