N-[2-azanyl-1-di(propan-2-yloxy)phosphoryl-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[2-azanyl-1-di(propan-2-yloxy)phosphoryl-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-(2-amino-1-diisopropoxyphosphoryl-2-oxo-ethyl)-2-chloro-4-nitro-benzamide CAS Name: N-[2-amino-1-di(propan-2-yloxy)phosphoryl-2-oxoethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[2-amino-1-di(propan-2-yloxy)phosphoryl-2-oxoethyl]-2-chloro-4-nitrobenzamide Traditional Name: N-(2-amino-1-diisopropoxyphosphoryl-2-keto-ethyl)-2-chloro-4-nitro-benzamide Formula: C15H21ClN3O7P MolecularWeight: 421.769901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN3O7P/c1-8(2)25-27(24,26-9(3)4)15(13(17)20)18-14(21)11-6-5-10(19(22)23)7-12(11)16/h5-9,15H,1-4H3,(H2,17,20)(H,18,21)