[[(2,4-dinitronaphthalen-1-yl)amino]-phenyl-methyl]phosphonic acid

Systemtic Name: [[(2,4-dinitronaphthalen-1-yl)amino]-phenyl-methyl]phosphonic acid Openeye Name: [[(2,4-dinitro-1-naphthyl)amino]-phenyl-methyl]phosphonic acid CAS Name: [[(2,4-dinitro-1-naphthalenyl)amino]-phenylmethyl]phosphonic acid IUPAC Name: [[(2,4-dinitronaphthalen-1-yl)amino]-phenylmethyl]phosphonic acid Traditional Name: [[(2,4-dinitro-1-naphthyl)amino]-phenyl-methyl]phosphonic acid Formula: C17H14N3O7P MolecularWeight: 403.282721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C17H14N3O7P/c21-19(22)14-10-15(20(23)24)16(13-9-5-4-8-12(13)14)18-17(28(25,26)27)11-6-2-1-3-7-11/h1-10,17-18H,(H2,25,26,27)