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

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)amino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: methyl 2-(2,4-dinitroanilino)-3-hydroxy-3-phenyl-propanoate CAS Name: 2-(2,4-dinitroanilino)-3-hydroxy-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dinitroanilino)-3-hydroxy-3-phenylpropanoate Traditional Name: 2-(2,4-dinitroanilino)-3-hydroxy-3-phenyl-propionic acid methyl ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7/c1-26-16(21)14(15(20)10-5-3-2-4-6-10)17-12-8-7-11(18(22)23)9-13(12)19(24)25/h2-9,14-15,17,20H,1H3