ethyl 3-(2-azanyl-7,7-dimethyl-3-nitro-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoate

Systemtic Name: ethyl 3-(2-azanyl-7,7-dimethyl-3-nitro-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoate Openeye Name: ethyl 3-(2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate CAS Name: 3-(2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate Traditional Name: 3-(2-amino-5-keto-7,7-dimethyl-3-nitro-6,8-dihydro-4H-chromen-4-yl)benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C20H22N2O6/c1-4-27-19(24)12-7-5-6-11(8-12)15-16-13(23)9-20(2,3)10-14(16)28-18(21)17(15)22(25)26/h5-8,15H,4,9-10,21H2,1-3H3