ethyl (3S)-3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoate

Systemtic Name: ethyl (3S)-3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoate Openeye Name: ethyl (3S)-3-[(2-chloro-5-nitro-benzoyl)amino]-3-(4-ethoxyphenyl)propanoate CAS Name: (3S)-3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate Traditional Name: (3S)-3-[(2-chloro-5-nitro-benzoyl)amino]-3-p-phenetyl-propionic acid ethyl ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)OCC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6/c1-3-28-15-8-5-13(6-9-15)18(12-19(24)29-4-2)22-20(25)16-11-14(23(26)27)7-10-17(16)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)/t18-/m0/s1