[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H20N2O7S/c1-15-4-2-6-18(25(28)29)22(15)23(27)32-14-21(26)24(13-17-5-3-11-33-17)16-7-8-19-20(12-16)31-10-9-30-19/h2-8,11-12H,9-10,13-14H2,1H3