2-[(3,5-dimethylphenyl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(3,5-dimethylbenzoyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]-5-nitro-benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C16H14N2O5/c1-9-5-10(2)7-11(6-9)15(19)17-14-4-3-12(18(22)23)8-13(14)16(20)21/h3-8H,1-2H3,(H,17,19)(H,20,21)