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

Systemtic Name: 4-[(2-ethylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(2-ethylanilino)-3-nitro-benzoic acid CAS Name: 4-(2-ethylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(2-ethylanilino)-3-nitrobenzoic acid Traditional Name: 4-(2-ethylanilino)-3-nitro-benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4/c1-2-10-5-3-4-6-12(10)16-13-8-7-11(15(18)19)9-14(13)17(20)21/h3-9,16H,2H2,1H3,(H,18,19)