ethyl (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-anilino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-anilino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-anilino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-anilino-4-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiophene-3-carboxylic acid ethyl ester Formula: C21H16N2O7S MolecularWeight: 440.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C1=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C1=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O7S/c1-2-28-21(25)18-19(24)17(31-20(18)22-13-6-4-3-5-7-13)9-12-8-15-16(30-11-29-15)10-14(12)23(26)27/h3-10,22H,2,11H2,1H3/b17-9-