methyl 2-[[2-(2-hydroxyethyl)-3,5-dinitro-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[2-(2-hydroxyethyl)-3,5-dinitro-phenyl]carbamoyl]benzoate Openeye Name: methyl 2-[[2-(2-hydroxyethyl)-3,5-dinitro-phenyl]carbamoyl]benzoate CAS Name: 2-[[2-(2-hydroxyethyl)-3,5-dinitroanilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-hydroxyethyl)-3,5-dinitrophenyl]carbamoyl]benzoate Traditional Name: 2-[[2-(2-hydroxyethyl)-3,5-dinitro-phenyl]carbamoyl]benzoic acid methyl ester Formula: C17H15N3O8 MolecularWeight: 389.3163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NC2=CC(=CC(=C2CCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NC2=CC(=CC(=C2CCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O8/c1-28-17(23)12-5-3-2-4-11(12)16(22)18-14-8-10(19(24)25)9-15(20(26)27)13(14)6-7-21/h2-5,8-9,21H,6-7H2,1H3,(H,18,22)