2-[[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-oxidanylidene-prop-1-enyl]amino]-4-nitro-phenolate

Systemtic Name: 2-[[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-oxidanylidene-prop-1-enyl]amino]-4-nitro-phenolate Openeye Name: 2-[[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-oxo-prop-1-enyl]amino]-4-nitro-phenolate CAS Name: 2-[[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-4-nitrophenolate Traditional Name: 2-[[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-keto-prop-1-enyl]amino]-4-nitro-phenolate Formula: C16H9ClN3O5- MolecularWeight: 358.71276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O5/c17-10-1-4-15-13(5-10)19-16(25-15)9(8-21)7-18-12-6-11(20(23)24)2-3-14(12)22/h1-8,18,22H/p-1/b9-7-