2-[(4-ethynyl-2-methyl-phenyl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(4-ethynyl-2-methyl-phenyl)amino]-4-nitro-benzoic acid Openeye Name: 2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzoic acid CAS Name: 2-(4-ethynyl-2-methylanilino)-4-nitrobenzoic acid IUPAC Name: 2-(4-ethynyl-2-methylanilino)-4-nitrobenzoic acid Traditional Name: 2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H12N2O4/c1-3-11-4-7-14(10(2)8-11)17-15-9-12(18(21)22)5-6-13(15)16(19)20/h1,4-9,17H,2H3,(H,19,20)