[(Z)-[2-azanyl-1-di(propan-2-yloxy)phosphoryl-2-oxidanylidene-ethylidene]amino] 4-nitrobenzoate; ethanol

Systemtic Name: [(Z)-[2-azanyl-1-di(propan-2-yloxy)phosphoryl-2-oxidanylidene-ethylidene]amino] 4-nitrobenzoate; ethanol Openeye Name: [(Z)-(2-amino-1-diisopropoxyphosphoryl-2-oxo-ethylidene)amino] 4-nitrobenzoate; ethanol CAS Name: ethanol; 4-nitrobenzoic acid [(Z)-[2-amino-1-di(propan-2-yloxy)phosphoryl-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[2-amino-1-di(propan-2-yloxy)phosphoryl-2-oxoethylidene]amino] 4-nitrobenzoate; ethanol Traditional Name: ethanol; 4-nitrobenzoic acid [(Z)-(2-amino-1-diisopropoxyphosphoryl-2-keto-ethylidene)amino] ester Formula: C17H26N3O9P MolecularWeight: 447.376801

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)OP(=O)(C(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N)OC(C)C

Isomeric SMILES

CCO.CC(C)OP(=O)(/C(=N\OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)N)OC(C)C

InChI

InChI=1S/C15H20N3O8P.C2H6O/c1-9(2)25-27(23,26-10(3)4)14(13(16)19)17-24-15(20)11-5-7-12(8-6-11)18(21)22;1-2-3/h5-10H,1-4H3,(H2,16,19);3H,2H2,1H3/b17-14-;