4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butyric acid Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O7/c15-11(1-2-12(16)17)13-7-5-9-10(21-4-3-20-9)6-8(7)14(18)19/h5-6H,1-4H2,(H,13,15)(H,16,17)