methyl 2-[(3,5-dinitrophenyl)carbamoyl]-3-(3-oxidanylidenebutanoyloxy)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)OC(=O)CC(=O)C

Isomeric SMILES

CC(C(C(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)OC(=O)CC(=O)C

InChI

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