2-[(2-methylphenyl)-propanoyl-carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2-methylphenyl)-propanoyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 3-nitro-2-[o-tolyl(propanoyl)carbamoyl]benzoic acid CAS Name: 2-[[2-methyl-N-(1-oxopropyl)anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2-methylphenyl)-propanoylcarbamoyl]-3-nitrobenzoic acid Traditional Name: 3-nitro-2-[o-tolyl(propionyl)carbamoyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1C)C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1C)C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O6/c1-3-15(21)19(13-9-5-4-7-11(13)2)17(22)16-12(18(23)24)8-6-10-14(16)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)