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

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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