[(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 3-nitrobenzoate

Systemtic Name: [(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 3-nitrobenzoate Openeye Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxo-ethylidene)amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] ester IUPAC Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-keto-ethylidene)amino] ester Formula: C13H16N3O8P MolecularWeight: 373.255201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)(/C(=N/OC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)N)OCC

InChI

InChI=1S/C13H16N3O8P/c1-3-22-25(21,23-4-2)12(11(14)17)15-24-13(18)9-6-5-7-10(8-9)16(19)20/h5-8H,3-4H2,1-2H3,(H2,14,17)/b15-12+