methyl 2-[(2,4-dinitrophenyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-(2,4-dinitroanilino)-3-phenyl-propanoate CAS Name: 2-(2,4-dinitroanilino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dinitroanilino)-3-phenylpropanoate Traditional Name: 2-(2,4-dinitroanilino)-3-phenyl-propionic acid methyl ester Formula: C16H15N3O6 MolecularWeight: 345.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-25-16(20)14(9-11-5-3-2-4-6-11)17-13-8-7-12(18(21)22)10-15(13)19(23)24/h2-8,10,14,17H,9H2,1H3