2-[[(Z)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-4-nitro-phenolate

Systemtic Name: 2-[[(Z)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-2-cyano-ethenyl]amino]-4-nitro-phenolate Openeye Name: 2-[[(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-4-nitro-phenolate CAS Name: 2-[[(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-4-nitrophenolate Traditional Name: 2-[[(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-2-cyano-vinyl]amino]-4-nitro-phenolate Formula: C16H8ClN4O4- MolecularWeight: 355.71212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N/C=C(/C#N)\C2=NC3=C(O2)C=CC(=C3)Cl)[O-]

InChI

InChI=1S/C16H9ClN4O4/c17-10-1-4-15-13(5-10)20-16(25-15)9(7-18)8-19-12-6-11(21(23)24)2-3-14(12)22/h1-6,8,19,22H/p-1/b9-8-