4-[[(Z)-1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)prop-1-en-2-yl]azaniumyl]butanoate

Systemtic Name: 4-[[(Z)-1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)prop-1-en-2-yl]azaniumyl]butanoate Openeye Name: 4-[[(Z)-2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-vinyl]ammonio]butanoate CAS Name: 4-[[(Z)-1-(5-hydroxy-3-nitro-2-benzofuranyl)prop-1-en-2-yl]ammonio]butanoate IUPAC Name: 4-[[(Z)-1-(5-hydroxy-3-nitro-1-benzofuran-2-yl)prop-1-en-2-yl]azaniumyl]butanoate Traditional Name: 4-[[(Z)-2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-vinyl]ammonio]butyrate Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-])[NH2+]CCCC(=O)[O-]

Isomeric SMILES

C/C(=C/C1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-])/[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9(16-6-2-3-14(19)20)7-13-15(17(21)22)11-8-10(18)4-5-12(11)23-13/h4-5,7-8,16,18H,2-3,6H2,1H3,(H,19,20)/b9-7-