ethyl (2S)-2-[(2-nitro-2-prop-2-enyl-pent-4-enoyl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(2-nitro-2-prop-2-enyl-pent-4-enoyl)amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(2-allyl-2-nitro-pent-4-enoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-nitro-1-oxo-2-prop-2-enylpent-4-enyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-nitro-2-prop-2-enylpent-4-enoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-allyl-2-nitro-pent-4-enoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5/c1-4-12-19(13-5-2,21(24)25)18(23)20-16(17(22)26-6-3)14-15-10-8-7-9-11-15/h4-5,7-11,16H,1-2,6,12-14H2,3H3,(H,20,23)/t16-/m0/s1