4-(1,3-benzodioxol-5-ylamino)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CO3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CO3

InChI

InChI=1S/C16H16N2O6/c19-15(18-10-3-4-13-14(6-10)24-9-23-13)7-12(16(20)21)17-8-11-2-1-5-22-11/h1-6,12,17H,7-9H2,(H,18,19)(H,20,21)