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

Systemtic Name: (3,4-dimethylphenyl) 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3,4-dimethylphenyl) 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 (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 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 (3,4-dimethylphenyl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C19H18N2O6/c1-12-5-7-15(10-13(12)2)26-18(22)4-3-9-20-16-8-6-14(21(24)25)11-17(16)27-19(20)23/h5-8,10-11H,3-4,9H2,1-2H3