4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C16H10ClN2O4S- MolecularWeight: 361.7796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H11ClN2O4S/c1-23-13-7-9(6-12(16(13)20)19(21)22)2-5-15-18-11-8-10(17)3-4-14(11)24-15/h2-8,20H,1H3/p-1/b5-2+