3,6-dimethyl-2-[[4-(nitrooxymethyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)phenyl]carbamoyl]benzoic acid Openeye Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)phenyl]carbamoyl]benzoic acid CAS Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)phenyl]carbamoyl]benzoic acid Traditional Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)phenyl]carbamoyl]benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-10-3-4-11(2)15(17(21)22)14(10)16(20)18-13-7-5-12(6-8-13)9-25-19(23)24/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)