3-[4-[(Z)-N-[(2-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-N-[(2-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[(2-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=O)C2=CC=CC=C2Br)/C

InChI

InChI=1S/C17H17BrN2O4/c1-10(14-9-12(24-11(14)2)7-8-16(21)22)19-20-17(23)13-5-3-4-6-15(13)18/h3-6,9H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b19-10-