2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-ethylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O4S/c1-2-18(8-11-4-6-14(17)25-11)9-19-15(21)12-5-3-10(20(23)24)7-13(12)16(19)22/h3-7H,2,8-9H2,1H3