N-[(4-dimethylaminophenyl)-diphenoxyphosphoryl-methyl]-3-nitro-aniline

Systemtic Name: N-[(4-dimethylaminophenyl)-diphenoxyphosphoryl-methyl]-3-nitro-aniline Openeye Name: N-[(4-dimethylaminophenyl)-diphenoxyphosphoryl-methyl]-3-nitro-aniline CAS Name: N-[(4-dimethylaminophenyl)-diphenoxyphosphorylmethyl]-3-nitroaniline IUPAC Name: N-[(4-dimethylaminophenyl)-diphenoxyphosphorylmethyl]-3-nitroaniline Traditional Name: [4-[diphenoxyphosphoryl-(3-nitroanilino)methyl]phenyl]-dimethyl-amine Formula: C27H26N3O5P MolecularWeight: 503.486201

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N3O5P/c1-29(2)23-18-16-21(17-19-23)27(28-22-10-9-11-24(20-22)30(31)32)36(33,34-25-12-5-3-6-13-25)35-26-14-7-4-8-15-26/h3-20,27-28H,1-2H3