3-[(1,3-benzodioxol-5-ylamino)-(3-oxidanidyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate; butane

Systemtic Name: 3-[(1,3-benzodioxol-5-ylamino)-(3-oxidanidyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate; butane Openeye Name: 3-[(1,3-benzodioxol-5-ylamino)-(3-oxido-3-oxo-propanoyl)oxy-methoxy]-3-oxo-propanoate; butane CAS Name: 3-[(1,3-benzodioxol-5-ylamino)-(3-oxido-1,3-dioxopropoxy)methoxy]-3-oxopropanoate; butane IUPAC Name: 3-[(1,3-benzodioxol-5-ylamino)-(3-oxido-3-oxopropanoyl)oxymethoxy]-3-oxopropanoate; butane Traditional Name: 3-[(1,3-benzodioxol-5-ylamino)-(3-keto-3-oxido-propanoyl)oxy-methoxy]-3-keto-propionate; n-butane Formula: C18H21NO10-2 MolecularWeight: 411.36004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1OC2=C(O1)C=C(C=C2)NC(OC(=O)CC(=O)[O-])OC(=O)CC(=O)[O-]

Isomeric SMILES

CCCC.C1OC2=C(O1)C=C(C=C2)NC(OC(=O)CC(=O)[O-])OC(=O)CC(=O)[O-]

InChI

InChI=1S/C14H13NO10.C4H10/c16-10(17)4-12(20)24-14(25-13(21)5-11(18)19)15-7-1-2-8-9(3-7)23-6-22-8;1-3-4-2/h1-3,14-15H,4-6H2,(H,16,17)(H,18,19);3-4H2,1-2H3/p-2