3-nitro-4-[(4-propan-2-ylphenyl)amino]benzoic acid

Systemtic Name: 3-nitro-4-[(4-propan-2-ylphenyl)amino]benzoic acid Openeye Name: 4-(4-isopropylanilino)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(4-propan-2-ylanilino)benzoic acid IUPAC Name: 3-nitro-4-(4-propan-2-ylanilino)benzoic acid Traditional Name: 4-cumidino-3-nitro-benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-10(2)11-3-6-13(7-4-11)17-14-8-5-12(16(19)20)9-15(14)18(21)22/h3-10,17H,1-2H3,(H,19,20)