[4-[3-[(4-nitrophenyl)carbonylamino]phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[3-[(4-nitrophenyl)carbonylamino]phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[3-[(4-nitrobenzoyl)amino]phenyl]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[3-[(4-nitrobenzoyl)amino]phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-keto-4-[3-[(4-nitrobenzoyl)amino]phenyl]-1-phosphono-butyl]phosphonic acid Formula: C17H18N2O10P2 MolecularWeight: 472.279742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O10P2/c20-15(8-9-16(30(24,25)26)31(27,28)29)12-2-1-3-13(10-12)18-17(21)11-4-6-14(7-5-11)19(22)23/h1-7,10,16H,8-9H2,(H,18,21)(H2,24,25,26)(H2,27,28,29)