4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloranyl-ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloranyl-ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloro-vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloro-vinyl]-2-methoxy-6-nitro-phenolate Formula: C16H10ClN2O5- MolecularWeight: 345.714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C2=NC3=CC=CC=C3O2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(/C2=NC3=CC=CC=C3O2)\Cl

InChI

InChI=1S/C16H11ClN2O5/c1-23-14-8-9(7-12(15(14)20)19(21)22)6-10(17)16-18-11-4-2-3-5-13(11)24-16/h2-8,20H,1H3/p-1/b10-6-