3-[(2-cyano-4-nitro-phenyl)amino]propanoate

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]propanoate Openeye Name: 3-(2-cyano-4-nitro-anilino)propanoate CAS Name: 3-(2-cyano-4-nitroanilino)propanoate IUPAC Name: 3-(2-cyano-4-nitroanilino)propanoate Traditional Name: 3-(2-cyano-4-nitro-anilino)propionate Formula: C10H8N3O4- MolecularWeight: 234.18822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O4/c11-6-7-5-8(13(16)17)1-2-9(7)12-4-3-10(14)15/h1-2,5,12H,3-4H2,(H,14,15)/p-1