ethyl (2R)-2-cyano-3-[4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[4-[(4-morpholino-3-nitro-benzoyl)amino]phenyl]-3-oxo-propanoate CAS Name: (2R)-2-cyano-3-[4-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]phenyl]-3-oxopropanoate Traditional Name: (2R)-2-cyano-3-keto-3-[4-[(4-morpholino-3-nitro-benzoyl)amino]phenyl]propionic acid ethyl ester Formula: C23H22N4O7 MolecularWeight: 466.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O7/c1-2-34-23(30)18(14-24)21(28)15-3-6-17(7-4-15)25-22(29)16-5-8-19(20(13-16)27(31)32)26-9-11-33-12-10-26/h3-8,13,18H,2,9-12H2,1H3,(H,25,29)/t18-/m1/s1