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

Systemtic Name: 3-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)acryloyl]amino]benzoate Formula: C21H14BrN2O5- MolecularWeight: 454.25026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C21H15BrN2O5/c22-15-8-6-13(7-9-15)19(25)24-18(12-17-5-2-10-29-17)20(26)23-16-4-1-3-14(11-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)/p-1/b18-12+