2-[(2-methyl-4-nitro-phenyl)-propanoyl-carbamoyl]benzoic acid

Systemtic Name: 2-[(2-methyl-4-nitro-phenyl)-propanoyl-carbamoyl]benzoic acid Openeye Name: 2-[(2-methyl-4-nitro-phenyl)-propanoyl-carbamoyl]benzoic acid CAS Name: 2-[[2-methyl-4-nitro-N-(1-oxopropyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid Traditional Name: 2-[(2-methyl-4-nitro-phenyl)-propionyl-carbamoyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])C)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])C)C(=O)C2=CC=CC=C2C(=O)O

InChI

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