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

Systemtic Name: (4-nitrophenyl) 2-[(2,3-dinitrophenyl)amino]-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) 2-(2,3-dinitroanilino)-3-phenyl-propanoate CAS Name: 2-(2,3-dinitroanilino)-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(2,3-dinitroanilino)-3-phenylpropanoate Traditional Name: 2-(2,3-dinitroanilino)-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8/c26-21(33-16-11-9-15(10-12-16)23(27)28)18(13-14-5-2-1-3-6-14)22-17-7-4-8-19(24(29)30)20(17)25(31)32/h1-12,18,22H,13H2