N3-[[(3-aminocarbonyl-2-azanyl-phenyl)carbonylamino]methyl]-2-azanyl-benzene-1,3-dicarboxamide

Systemtic Name: N3-[[(3-aminocarbonyl-2-azanyl-phenyl)carbonylamino]methyl]-2-azanyl-benzene-1,3-dicarboxamide Openeye Name: 2-amino-N3-[[(2-amino-3-carbamoyl-benzoyl)amino]methyl]benzene-1,3-dicarboxamide CAS Name: 2-amino-N3-[[[(2-amino-3-carbamoylphenyl)-oxomethyl]amino]methyl]benzene-1,3-dicarboxamide IUPAC Name: 2-amino-3-N-[[(2-amino-3-carbamoylbenzoyl)amino]methyl]benzene-1,3-dicarboxamide Traditional Name: 2-amino-N'-[[(2-amino-3-carbamoyl-benzoyl)amino]methyl]isophthalamide Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)NCNC(=O)C2=CC=CC(=C2N)C(=O)N)N)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)NCNC(=O)C2=CC=CC(=C2N)C(=O)N)N)C(=O)N

InChI

InChI=1S/C17H18N6O4/c18-12-8(14(20)24)3-1-5-10(12)16(26)22-7-23-17(27)11-6-2-4-9(13(11)19)15(21)25/h1-6H,7,18-19H2,(H2,20,24)(H2,21,25)(H,22,26)(H,23,27)