methyl (2S)-2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl-[(3-nitrophenyl)methyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl-[(3-nitrophenyl)methyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(2-ethoxy-2-oxo-ethyl)carbamoyl-[(3-nitrophenyl)methyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-[(3-nitrophenyl)methyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoyl-[(3-nitrophenyl)methyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(2-ethoxy-2-keto-ethyl)carbamoyl-(3-nitrobenzyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C16H21N3O8 MolecularWeight: 383.35324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N(CC1=CC(=CC=C1)[N+](=O)[O-])C(CO)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O8/c1-3-27-14(21)8-17-16(23)18(13(10-20)15(22)26-2)9-11-5-4-6-12(7-11)19(24)25/h4-7,13,20H,3,8-10H2,1-2H3,(H,17,23)/t13-/m0/s1