6-chloranyl-2-[(4-cyanophenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-[(4-cyanophenyl)amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(4-cyanoanilino)-3-nitro-benzoic acid CAS Name: 6-chloro-2-(4-cyanoanilino)-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(4-cyanoanilino)-3-nitrobenzoic acid Traditional Name: 6-chloro-2-(4-cyanoanilino)-3-nitro-benzoic acid Formula: C14H8ClN3O4 MolecularWeight: 317.68402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClN3O4/c15-10-5-6-11(18(21)22)13(12(10)14(19)20)17-9-3-1-8(7-16)2-4-9/h1-6,17H,(H,19,20)