ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylideneamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methyleneamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-nitrobenzylidene)amino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c1-3-29-23(26)21-18(10-15-7-8-19-20(11-15)31-13-30-19)14(2)32-22(21)24-12-16-5-4-6-17(9-16)25(27)28/h4-9,11-12H,3,10,13H2,1-2H3