methyl 3-[2-(4-cyanophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-cyanophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-cyanobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-cyanobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H14N4O5S/c1-28-17(24)8-9-22-15-7-6-14(23(26)27)10-16(15)29-19(22)21-18(25)13-4-2-12(11-20)3-5-13/h2-7,10H,8-9H2,1H3