N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitro-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-3-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C27H27N3O7S MolecularWeight: 537.58418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O7S/c31-26(28(16-23-7-3-11-38-23)14-19-8-9-24-25(12-19)37-18-36-24)17-29(15-22-6-2-10-35-22)27(32)20-4-1-5-21(13-20)30(33)34/h1,3-5,7-9,11-13,22H,2,6,10,14-18H2