5-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-nitro-phenolate Openeye Name: 5-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-nitro-phenolate CAS Name: 5-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-nitrophenolate Traditional Name: 5-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-nitro-phenolate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O4S/c1-18(9-15-17-11-4-2-3-5-14(11)24-15)16(21)10-6-7-12(19(22)23)13(20)8-10/h2-8,20H,9H2,1H3/p-1