5-nitro-2-[(2-prop-1-en-2-ylphenyl)amino]benzoic acid

Systemtic Name: 5-nitro-2-[(2-prop-1-en-2-ylphenyl)amino]benzoic acid Openeye Name: 2-(2-isopropenylanilino)-5-nitro-benzoic acid CAS Name: 2-[2-(1-methylethenyl)anilino]-5-nitrobenzoic acid IUPAC Name: 5-nitro-2-(2-prop-1-en-2-ylanilino)benzoic acid Traditional Name: 2-(2-isopropenylanilino)-5-nitro-benzoic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=C)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O4/c1-10(2)12-5-3-4-6-14(12)17-15-8-7-11(18(21)22)9-13(15)16(19)20/h3-9,17H,1H2,2H3,(H,19,20)