methyl 2-[[chloranyl-(4-nitrophenoxy)phosphinothioyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[chloranyl-(4-nitrophenoxy)phosphinothioyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[chloro-(4-nitrophenoxy)phosphinothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[chloro-(4-nitrophenoxy)phosphinothioyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[chloro-(4-nitrophenoxy)phosphinothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[chloro-(4-nitrophenoxy)thiophosphoryl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H16ClN2O5PS MolecularWeight: 414.800401

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NP(=S)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NP(=S)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN2O5PS/c1-23-16(20)15(11-12-5-3-2-4-6-12)18-25(17,26)24-14-9-7-13(8-10-14)19(21)22/h2-10,15H,11H2,1H3,(H,18,26)