methyl (2R,3S)-2-[(3,5-dinitrophenyl)carbonylamino]-3-(3-oxidanylidenebutanoyloxy)butanoate

Systemtic Name: methyl (2R,3S)-2-[(3,5-dinitrophenyl)carbonylamino]-3-(3-oxidanylidenebutanoyloxy)butanoate Openeye Name: methyl (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-(3-oxobutanoyloxy)butanoate CAS Name: (2R,3S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(1,3-dioxobutoxy)butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-(3-oxobutanoyloxy)butanoate Traditional Name: (2R,3S)-3-acetoacetyloxy-2-[(3,5-dinitrobenzoyl)amino]butyric acid methyl ester Formula: C16H17N3O10 MolecularWeight: 411.32028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O10/c1-8(20)4-13(21)29-9(2)14(16(23)28-3)17-15(22)10-5-11(18(24)25)7-12(6-10)19(26)27/h5-7,9,14H,4H2,1-3H3,(H,17,22)/t9-,14+/m0/s1