4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]benzoate Formula: C21H13BrN3O7- MolecularWeight: 499.24782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)NC2=CC=C(C=C2)C(=O)[O-])NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)[O-])/NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H14BrN3O7/c22-18-9-8-17(32-18)20(27)24-16(11-12-2-1-3-15(10-12)25(30)31)19(26)23-14-6-4-13(5-7-14)21(28)29/h1-11H,(H,23,26)(H,24,27)(H,28,29)/p-1/b16-11+