3-azanyl-5-[[[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid

Systemtic Name: 3-azanyl-5-[[[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid Openeye Name: 3-amino-5-[[[2-(methylamino)-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 3-amino-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-amino-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid Traditional Name: 3-amino-5-[[[2-keto-2-(methylamino)ethyl]amino]methyl]benzoic acid Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNCC1=CC(=CC(=C1)C(=O)O)N

Isomeric SMILES

CNC(=O)CNCC1=CC(=CC(=C1)C(=O)O)N

InChI

InChI=1S/C11H15N3O3/c1-13-10(15)6-14-5-7-2-8(11(16)17)4-9(12)3-7/h2-4,14H,5-6,12H2,1H3,(H,13,15)(H,16,17)