(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H17NO6 MolecularWeight: 367.35208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H17NO6/c1-11-7-8-16-14(9-18(22)27-19(16)12(11)2)10-26-20(23)15-5-4-6-17(13(15)3)21(24)25/h4-9H,10H2,1-3H3