(4-cyanophenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (4-cyanophenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (4-cyanophenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (4-cyanobenzyl) ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#N

InChI

InChI=1S/C19H15N3O6/c20-11-13-3-5-14(6-4-13)12-27-18(23)2-1-9-21-16-8-7-15(22(25)26)10-17(16)28-19(21)24/h3-8,10H,1-2,9,12H2