N-[di(propan-2-yloxy)phosphoryl-(3-nitrophenyl)methyl]-4-methyl-3-nitro-aniline

Systemtic Name: N-[di(propan-2-yloxy)phosphoryl-(3-nitrophenyl)methyl]-4-methyl-3-nitro-aniline Openeye Name: N-[diisopropoxyphosphoryl-(3-nitrophenyl)methyl]-4-methyl-3-nitro-aniline CAS Name: N-[di(propan-2-yloxy)phosphoryl-(3-nitrophenyl)methyl]-4-methyl-3-nitroaniline IUPAC Name: N-[di(propan-2-yloxy)phosphoryl-(3-nitrophenyl)methyl]-4-methyl-3-nitroaniline Traditional Name: [diisopropoxyphosphoryl-(3-nitrophenyl)methyl]-(4-methyl-3-nitro-phenyl)amine Formula: C20H26N3O7P MolecularWeight: 451.410101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N3O7P/c1-13(2)29-31(28,30-14(3)4)20(16-7-6-8-18(11-16)22(24)25)21-17-10-9-15(5)19(12-17)23(26)27/h6-14,20-21H,1-5H3