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

Systemtic Name: (4-cyanophenyl)methyl 3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-6-nitro-1,3-benzoxazol-3-yl)propionic acid (4-cyanobenzyl) ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#N

InChI

InChI=1S/C18H13N3O6/c19-10-12-1-3-13(4-2-12)11-26-17(22)7-8-20-15-6-5-14(21(24)25)9-16(15)27-18(20)23/h1-6,9H,7-8,11H2