6-[4-[(2-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(2-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-[(2-acetamido-4-amino-4-oxo-butanoyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[(2-acetamido-4-amino-1,4-dioxobutyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-[(2-acetamido-4-amino-4-oxobutanoyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-[(2-acetamido-4-amino-4-keto-butanoyl)amino]phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N)C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC(=O)N)C(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C18H18N4O6/c1-9(23)20-14(8-15(19)24)17(26)21-11-4-2-10(3-5-11)13-7-6-12(18(27)28)16(25)22-13/h2-7,14H,8H2,1H3,(H2,19,24)(H,20,23)(H,21,26)(H,22,25)(H,27,28)