2-[(4-cyano-2-nitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-cyano-2-nitro-phenyl)amino]ethanoic acid Openeye Name: 2-(4-cyano-2-nitro-anilino)acetic acid CAS Name: 2-(4-cyano-2-nitroanilino)acetic acid IUPAC Name: 2-(4-cyano-2-nitroanilino)acetic acid Traditional Name: 2-(4-cyano-2-nitro-anilino)acetic acid Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C9H7N3O4/c10-4-6-1-2-7(11-5-9(13)14)8(3-6)12(15)16/h1-3,11H,5H2,(H,13,14)