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

Systemtic Name: 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C18H15BrN3O7- MolecularWeight: 465.2316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O7/c19-15-7-6-14(29-15)18(26)21-13(17(25)20-8-2-5-16(23)24)10-11-3-1-4-12(9-11)22(27)28/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,25)(H,21,26)(H,23,24)/p-1/b13-10+