ethyl 3-[(4-azanyl-2-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-azanyl-2-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3-amino-1-hydroxy-1-methyl-3-oxo-propyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-amino-2-hydroxy-4-oxobutan-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-amino-2-hydroxy-4-oxobutan-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-amino-1-hydroxy-3-keto-1-methyl-propyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C14H17N3O7 MolecularWeight: 339.30068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)(CC(=O)N)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)(CC(=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O7/c1-3-24-13(20)9-4-8(5-10(6-9)17(22)23)12(19)16-14(2,21)7-11(15)18/h4-6,21H,3,7H2,1-2H3,(H2,15,18)(H,16,19)