ethyl 4-azanyl-2-[(4-azanyl-2-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]benzoate

Systemtic Name: ethyl 4-azanyl-2-[(4-azanyl-2-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]benzoate Openeye Name: ethyl 4-amino-2-[(3-amino-1-hydroxy-1-methyl-3-oxo-propyl)carbamoyl]benzoate CAS Name: 4-amino-2-[[(4-amino-2-hydroxy-4-oxobutan-2-yl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-amino-2-hydroxy-4-oxobutan-2-yl)carbamoyl]benzoate Traditional Name: 4-amino-2-[(3-amino-1-hydroxy-3-keto-1-methyl-propyl)carbamoyl]benzoic acid ethyl ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N)C(=O)NC(C)(CC(=O)N)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N)C(=O)NC(C)(CC(=O)N)O

InChI

InChI=1S/C14H19N3O5/c1-3-22-13(20)9-5-4-8(15)6-10(9)12(19)17-14(2,21)7-11(16)18/h4-6,21H,3,7,15H2,1-2H3,(H2,16,18)(H,17,19)