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

Systemtic Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[3-(3,4-dichlorophenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[3-(3,4-dichlorophenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

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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)