[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C15H10N4O5S MolecularWeight: 358.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5S/c20-13(8-24-14(21)9-2-1-5-16-7-9)18-15-17-11-4-3-10(19(22)23)6-12(11)25-15/h1-7H,8H2,(H,17,18,20)