N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline CAS Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-4-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-4-nitroaniline Traditional Name: [diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-(2-methyl-4-nitro-phenyl)amine Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=C(C(=C1)OC)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=C(C(=C1)OC)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C21H29N2O8P/c1-7-30-32(26,31-8-2)21(22-17-10-9-16(23(24)25)11-14(17)3)15-12-18(27-4)20(29-6)19(13-15)28-5/h9-13,21-22H,7-8H2,1-6H3