2-[[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(benzylamino)-3-pyridyl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-[(phenylmethyl)amino]-3-pyridinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(benzylamino)pyridin-3-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(benzylamino)-3-pyridyl]amino]methylene]malonic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H15N3O4/c20-15(21)13(16(22)23)10-17-12-6-7-14(19-9-12)18-8-11-4-2-1-3-5-11/h1-7,9-10,17H,8H2,(H,18,19)(H,20,21)(H,22,23)