3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)acryloyl]amino]propionate Formula: C17H14BrN2O5- MolecularWeight: 406.20746

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=C(C(=O)NCCC(=O)[O-])NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=COC(=C1)/C=C(\C(=O)NCCC(=O)[O-])/NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrN2O5/c18-12-5-3-11(4-6-12)16(23)20-14(10-13-2-1-9-25-13)17(24)19-8-7-15(21)22/h1-6,9-10H,7-8H2,(H,19,24)(H,20,23)(H,21,22)/p-1/b14-10+