diethyl 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylene]propanedioate CAS Name: 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(4-nitro-1,3-benzothiazol-2-yl)amino]methylene]malonic acid diethyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=C(C=CC=C2S1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC2=C(C=CC=C2S1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H15N3O6S/c1-3-23-13(19)9(14(20)24-4-2)8-16-15-17-12-10(18(21)22)6-5-7-11(12)25-15/h5-8H,3-4H2,1-2H3,(H,16,17)