2-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-(2-cyano-4-nitro-anilino)-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-(2-cyano-4-nitroanilino)-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-(2-cyano-4-nitroanilino)-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-(2-cyano-4-nitro-anilino)-2-keto-ethoxy]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6/c17-8-10-7-11(19(23)24)5-6-13(10)18-15(20)9-25-14-4-2-1-3-12(14)16(21)22/h1-7H,9H2,(H,18,20)(H,21,22)