N-[(3S)-3-[1-(dimethylamino)ethyl-methoxy-phosphoryl]oxy-2,2-dimethyl-butyl]-4-nitro-benzamide

Systemtic Name: N-[(3S)-3-[1-(dimethylamino)ethyl-methoxy-phosphoryl]oxy-2,2-dimethyl-butyl]-4-nitro-benzamide Openeye Name: N-[(3S)-3-[1-(dimethylamino)ethyl-methoxy-phosphoryl]oxy-2,2-dimethyl-butyl]-4-nitro-benzamide CAS Name: N-[(3S)-3-[1-(dimethylamino)ethyl-methoxyphosphoryl]oxy-2,2-dimethylbutyl]-4-nitrobenzamide IUPAC Name: N-[(3S)-3-[1-(dimethylamino)ethyl-methoxyphosphoryl]oxy-2,2-dimethylbutyl]-4-nitrobenzamide Traditional Name: N-[(3S)-3-[1-(dimethylamino)ethyl-methoxy-phosphoryl]oxy-2,2-dimethyl-butyl]-4-nitro-benzamide Formula: C18H30N3O6P MolecularWeight: 415.421061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N3O6P/c1-13(27-28(25,26-7)14(2)20(5)6)18(3,4)12-19-17(22)15-8-10-16(11-9-15)21(23)24/h8-11,13-14H,12H2,1-7H3,(H,19,22)/t13-,14?,28?/m0/s1