[3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-(3-methylbutyl)phenyl]arsonic acid

Systemtic Name: [3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-(3-methylbutyl)phenyl]arsonic acid Openeye Name: [3-[(2-amino-2-oxo-ethyl)amino]-4-isopentyl-phenyl]arsonic acid CAS Name: [3-[(2-amino-2-oxoethyl)amino]-4-(3-methylbutyl)phenyl]arsonic acid IUPAC Name: [3-[(2-amino-2-oxoethyl)amino]-4-(3-methylbutyl)phenyl]arsonic acid Traditional Name: [3-[(2-amino-2-keto-ethyl)amino]-4-isoamyl-phenyl]arsonic acid Formula: C13H21AsN2O4 MolecularWeight: 344.23844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=C(C=C1)[As](=O)(O)O)NCC(=O)N

Isomeric SMILES

CC(C)CCC1=C(C=C(C=C1)[As](=O)(O)O)NCC(=O)N

InChI

InChI=1S/C13H21AsN2O4/c1-9(2)3-4-10-5-6-11(14(18,19)20)7-12(10)16-8-13(15)17/h5-7,9,16H,3-4,8H2,1-2H3,(H2,15,17)(H2,18,19,20)