N-[4-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]thiazol-2-yl]-piperonylamide Formula: C20H16N4O7S MolecularWeight: 456.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N4O7S/c1-29-16-8-13(24(27)28)3-4-14(16)22-18(25)7-12-9-32-20(21-12)23-19(26)11-2-5-15-17(6-11)31-10-30-15/h2-6,8-9H,7,10H2,1H3,(H,22,25)(H,21,23,26)