4-[diethoxyphosphoryl-[(3-nitrophenyl)amino]methyl]benzene-1,3-diol

Systemtic Name: 4-[diethoxyphosphoryl-[(3-nitrophenyl)amino]methyl]benzene-1,3-diol Openeye Name: 4-[diethoxyphosphoryl-(3-nitroanilino)methyl]benzene-1,3-diol CAS Name: 4-[diethoxyphosphoryl-(3-nitroanilino)methyl]benzene-1,3-diol IUPAC Name: 4-[diethoxyphosphoryl-(3-nitroanilino)methyl]benzene-1,3-diol Traditional Name: 4-[diethoxyphosphoryl-(3-nitroanilino)methyl]resorcinol Formula: C17H21N2O7P MolecularWeight: 396.331601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O7P/c1-3-25-27(24,26-4-2)17(15-9-8-14(20)11-16(15)21)18-12-6-5-7-13(10-12)19(22)23/h5-11,17-18,20-21H,3-4H2,1-2H3