N-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]-3-nitro-aniline

Systemtic Name: N-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]-3-nitro-aniline Openeye Name: N-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]-3-nitro-aniline CAS Name: N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-3-nitroaniline IUPAC Name: N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-3-nitroaniline Traditional Name: [[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]-(3-nitrophenyl)amine Formula: C22H29N2O4P MolecularWeight: 416.450421

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)O[P@](=O)(C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H29N2O4P/c1-16(2)21-13-12-17(3)14-22(21)28-29(27,20-10-5-4-6-11-20)23-18-8-7-9-19(15-18)24(25)26/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,23,27)/t17-,21+,22-,29+/m0/s1