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

Systemtic Name: 2-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]acetate Formula: C16H11BrN3O7- MolecularWeight: 437.17844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C(=O)NCC(=O)[O-])NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCC(=O)[O-])/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H12BrN3O7/c17-13-5-4-12(27-13)16(24)19-11(15(23)18-8-14(21)22)7-9-2-1-3-10(6-9)20(25)26/h1-7H,8H2,(H,18,23)(H,19,24)(H,21,22)/p-1/b11-7+