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

Systemtic Name: methyl 2-[2-(4-azanyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H21N3O9S MolecularWeight: 527.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21N3O9S/c1-12-15(7-13-3-6-18-19(8-13)36-11-35-18)21(24(30)33-2)22(37-12)26-20(28)10-34-23(29)14-4-5-16(25)17(9-14)27(31)32/h3-6,8-9H,7,10-11,25H2,1-2H3,(H,26,28)