2-nitro-6-[(2,4,5-trimethylphenyl)carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[(2,4,5-trimethylphenyl)carbamoyl]benzoic acid Openeye Name: 2-nitro-6-[(2,4,5-trimethylphenyl)carbamoyl]benzoic acid CAS Name: 2-nitro-6-[oxo-(2,4,5-trimethylanilino)methyl]benzoic acid IUPAC Name: 2-nitro-6-[(2,4,5-trimethylphenyl)carbamoyl]benzoic acid Traditional Name: 2-nitro-6-[(2,4,5-trimethylphenyl)carbamoyl]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C17H16N2O5/c1-9-7-11(3)13(8-10(9)2)18-16(20)12-5-4-6-14(19(23)24)15(12)17(21)22/h4-8H,1-3H3,(H,18,20)(H,21,22)