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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-3-nitro-benzamide Openeye Name: 4-[allyl-[(5-bromo-2-thienyl)methyl]amino]-3-nitro-benzamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-3-nitrobenzamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-3-nitrobenzamide Traditional Name: 4-[allyl-[(5-bromo-2-thienyl)methyl]amino]-3-nitro-benzamide Formula: C15H14BrN3O3S MolecularWeight: 396.25896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrN3O3S/c1-2-7-18(9-11-4-6-14(16)23-11)12-5-3-10(15(17)20)8-13(12)19(21)22/h2-6,8H,1,7,9H2,(H2,17,20)