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

Systemtic Name: 4-[[(2-cyano-4-nitro-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(2-cyano-4-nitro-anilino)methyl]benzoic acid CAS Name: 4-[(2-cyano-4-nitroanilino)methyl]benzoic acid IUPAC Name: 4-[(2-cyano-4-nitroanilino)methyl]benzoic acid Traditional Name: 4-[(2-cyano-4-nitro-anilino)methyl]benzoic acid Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C15H11N3O4/c16-8-12-7-13(18(21)22)5-6-14(12)17-9-10-1-3-11(4-2-10)15(19)20/h1-7,17H,9H2,(H,19,20)