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

Systemtic Name: 2-[[2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[2-[(5-bromo-2-furoyl)amino]-3-(4-nitrophenyl)acryloyl]amino]acetic acid Formula: C16H12BrN3O7 MolecularWeight: 438.18638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-]

InChI

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