methyl (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propanoate

Systemtic Name: methyl (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propanoate Openeye Name: methyl (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propanoate CAS Name: (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propanoate Traditional Name: (2S,3S)-3-(diethylamino)-2-(diethylaminomethyl)-3-(3-nitrophenyl)propionic acid methyl ester Formula: C19H31N3O4 MolecularWeight: 365.46714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C(C1=CC(=CC=C1)[N+](=O)[O-])N(CC)CC)C(=O)OC

Isomeric SMILES

CCN(CC)C[C@@H]([C@@H](C1=CC(=CC=C1)[N+](=O)[O-])N(CC)CC)C(=O)OC

InChI

InChI=1S/C19H31N3O4/c1-6-20(7-2)14-17(19(23)26-5)18(21(8-3)9-4)15-11-10-12-16(13-15)22(24)25/h10-13,17-18H,6-9,14H2,1-5H3/t17-,18+/m0/s1