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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H18N2O6/c1-13-5-2-3-6-14(13)12-26-18(22)7-4-10-20-16-9-8-15(21(24)25)11-17(16)27-19(20)23/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3