1-methyl-4-nitro-benzene; 4-nitrobenzoic acid

Systemtic Name: 1-methyl-4-nitro-benzene; 4-nitrobenzoic acid Openeye Name: 1-methyl-4-nitro-benzene; 4-nitrobenzoic acid CAS Name: 1-methyl-4-nitrobenzene; 4-nitrobenzoic acid IUPAC Name: 1-methyl-4-nitrobenzene; 4-nitrobenzoic acid Traditional Name: 1-methyl-4-nitro-benzene; 4-nitrobenzoic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H5NO4.C7H7NO2/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-6-2-4-7(5-3-6)8(9)10/h1-4H,(H,9,10);2-5H,1H3