4-[[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[allyl-[(5-bromo-2-thienyl)methyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[allyl-[(5-bromo-2-thienyl)methyl]amino]methyl]-3-nitro-benzamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC2=CC=C(S2)Br

Isomeric SMILES

C=CCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC2=CC=C(S2)Br

InChI

InChI=1S/C16H16BrN3O3S/c1-2-7-19(10-13-5-6-15(17)24-13)9-12-4-3-11(16(18)21)8-14(12)20(22)23/h2-6,8H,1,7,9-10H2,(H2,18,21)