ethyl 2-[(3-nitro-3-oxidanyl-propanoyl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(3-nitro-3-oxidanyl-propanoyl)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3-hydroxy-3-nitro-propanoyl)amino]-3-phenyl-propanoate CAS Name: 2-[(3-hydroxy-3-nitro-1-oxopropyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-hydroxy-3-nitropropanoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-hydroxy-3-nitro-propanoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC([N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC([N+](=O)[O-])O

InChI

InChI=1S/C14H18N2O6/c1-2-22-14(19)11(8-10-6-4-3-5-7-10)15-12(17)9-13(18)16(20)21/h3-7,11,13,18H,2,8-9H2,1H3,(H,15,17)