ethyl 2-[2-(4-azanyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-azanyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-amino-3-nitro-benzoyl)oxyacetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-3-nitrobenzoyl)oxyacetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-amino-3-nitro-benzoyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23N3O9S MolecularWeight: 541.52982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O9S/c1-3-34-25(31)22-16(8-14-4-7-19-20(9-14)37-12-36-19)13(2)38-23(22)27-21(29)11-35-24(30)15-5-6-17(26)18(10-15)28(32)33/h4-7,9-10H,3,8,11-12,26H2,1-2H3,(H,27,29)