[4-[8-[(4-diethoxyphosphoryl-2-nitro-phenyl)-methanoyl-amino]octyl-methanoyl-amino]-3-nitro-phenyl]phosphonic acid

Systemtic Name: [4-[8-[(4-diethoxyphosphoryl-2-nitro-phenyl)-methanoyl-amino]octyl-methanoyl-amino]-3-nitro-phenyl]phosphonic acid Openeye Name: [4-[8-(4-diethoxyphosphoryl-N-formyl-2-nitro-anilino)octyl-formyl-amino]-3-nitro-phenyl]phosphonic acid CAS Name: [4-[8-(4-diethoxyphosphoryl-N-formyl-2-nitroanilino)octyl-formylamino]-3-nitrophenyl]phosphonic acid IUPAC Name: [4-[8-(4-diethoxyphosphoryl-N-formyl-2-nitroanilino)octyl-formylamino]-3-nitrophenyl]phosphonic acid Traditional Name: [4-[8-(4-diethoxyphosphoryl-N-formyl-2-nitro-anilino)octyl-formyl-amino]-3-nitro-phenyl]phosphonic acid Formula: C26H36N4O12P2 MolecularWeight: 658.531162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O12P2/c1-3-41-44(40,42-4-2)22-12-14-24(26(18-22)30(35)36)28(20-32)16-10-8-6-5-7-9-15-27(19-31)23-13-11-21(43(37,38)39)17-25(23)29(33)34/h11-14,17-20H,3-10,15-16H2,1-2H3,(H2,37,38,39)