2-[(2,4-dimethylphenyl)-propanoyl-carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2,4-dimethylphenyl)-propanoyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(2,4-dimethylphenyl)-propanoyl-carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[2,4-dimethyl-N-(1-oxopropyl)anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2,4-dimethylphenyl)-propanoylcarbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2,4-dimethylphenyl)-propionyl-carbamoyl]-3-nitro-benzoic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=C(C=C1)C)C)C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)N(C1=C(C=C(C=C1)C)C)C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N2O6/c1-4-16(22)20(14-9-8-11(2)10-12(14)3)18(23)17-13(19(24)25)6-5-7-15(17)21(26)27/h5-10H,4H2,1-3H3,(H,24,25)