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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCC(=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5/c18-13-6-2-1-5-12(13)16(23)20-14(10-11-4-3-9-25-11)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+