methyl 2-diethoxyphosphoryl-4-[(3-nitrophenyl)amino]-3,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 2-diethoxyphosphoryl-4-[(3-nitrophenyl)amino]-3,4-bis(oxidanylidene)butanoate Openeye Name: methyl 2-diethoxyphosphoryl-4-(3-nitroanilino)-3,4-dioxo-butanoate CAS Name: 2-diethoxyphosphoryl-4-(3-nitroanilino)-3,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 2-diethoxyphosphoryl-4-(3-nitroanilino)-3,4-dioxobutanoate Traditional Name: 2-diethoxyphosphoryl-3,4-diketo-4-(3-nitroanilino)butyric acid methyl ester Formula: C15H19N2O9P MolecularWeight: 402.293121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC)OCC

InChI

InChI=1S/C15H19N2O9P/c1-4-25-27(23,26-5-2)13(15(20)24-3)12(18)14(19)16-10-7-6-8-11(9-10)17(21)22/h6-9,13H,4-5H2,1-3H3,(H,16,19)