4-[[(1E)-1-(benzotriazol-1-yl)-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]amino]benzoate

Systemtic Name: 4-[[(1E)-1-(benzotriazol-1-yl)-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]amino]benzoate Openeye Name: 4-[[(1E)-1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]amino]benzoate CAS Name: 4-[[(1E)-1-(1-benzotriazolyl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoate IUPAC Name: 4-[[(1E)-1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoate Traditional Name: 4-[[(1E)-1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]amino]benzoate Formula: C17H9Cl3N5O4- MolecularWeight: 453.64346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H10Cl3N5O4/c18-13(15(19)20)14(25(28)29)16(21-10-7-5-9(6-8-10)17(26)27)24-12-4-2-1-3-11(12)22-23-24/h1-8,21H,(H,26,27)/p-1/b16-14+