2-butan-2-yl-4,6-dinitro-phenol; 2-(naphthalen-1-ylcarbamoyl)benzoic acid

Systemtic Name: 2-butan-2-yl-4,6-dinitro-phenol; 2-(naphthalen-1-ylcarbamoyl)benzoic acid Openeye Name: 2,4-dinitro-6-sec-butyl-phenol; 2-(1-naphthylcarbamoyl)benzoic acid CAS Name: 2-butan-2-yl-4,6-dinitrophenol; 2-[(1-naphthalenylamino)-oxomethyl]benzoic acid IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol; 2-(naphthalen-1-ylcarbamoyl)benzoic acid Traditional Name: 2,4-dinitro-6-sec-butyl-phenol; 2-(1-naphthylcarbamoyl)benzoic acid Formula: C28H25N3O8 MolecularWeight: 531.5134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H13NO3.C10H12N2O5/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h1-11H,(H,19,20)(H,21,22);4-6,13H,3H2,1-2H3