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

Systemtic Name: 4-[[(E)-2-[(2-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(2-furyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(2-furyl)acryloyl]amino]butyrate Formula: C18H16BrN2O5- MolecularWeight: 420.23404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5/c19-14-7-2-1-6-13(14)17(24)21-15(11-12-5-4-10-26-12)18(25)20-9-3-8-16(22)23/h1-2,4-7,10-11H,3,8-9H2,(H,20,25)(H,21,24)(H,22,23)/p-1/b15-11+