2-(3,5-dimethylphenoxy)ethyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O7/c1-13-7-14(2)9-16(8-13)27-5-6-28-20(24)11-21-17-10-15(22(25)26)3-4-18(17)29-12-19(21)23/h3-4,7-10H,5-6,11-12H2,1-2H3