ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(2-nitro-1-oxopent-4-enyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-nitropent-4-enoylamino)-3-phenyl-propionic acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-3-8-14(18(21)22)15(19)17-13(16(20)23-4-2)11-12-9-6-5-7-10-12/h3,5-7,9-10,13-14H,1,4,8,11H2,2H3,(H,17,19)/t13-,14?/m0/s1