(4-nitrophenyl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (4-nitrophenyl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (4-nitrobenzyl) ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c21-17(26-12-13-7-9-14(10-8-13)19(22)23)6-3-11-18-15-4-1-2-5-16(15)20(24)25/h1-2,4-5,7-10,18H,3,6,11-12H2