ethyl (2R,3S)-2-[(4-dimethylaminophenyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2R,3S)-2-[(4-dimethylaminophenyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2R,3S)-2-[(4-dimethylaminophenyl)methyleneamino]-3-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: (2R,3S)-2-[(4-dimethylaminophenyl)methylideneamino]-3-hydroxy-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-[(4-dimethylaminophenyl)methylideneamino]-3-hydroxy-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-2-[[4-(dimethylamino)benzylidene]amino]-3-hydroxy-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)N=CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H23N3O5/c1-4-28-20(25)18(19(24)15-7-11-17(12-8-15)23(26)27)21-13-14-5-9-16(10-6-14)22(2)3/h5-13,18-19,24H,4H2,1-3H3/t18-,19+/m1/s1