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

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-2-7-19(9-12-4-6-15(18)26-12)10-20-16(22)13-5-3-11(21(24)25)8-14(13)17(20)23/h2-6,8H,1,7,9-10H2