(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C20H18N2O6/c1-12-4-6-15-13(9-19(23)28-18(15)8-12)11-27-20(24)16-10-14(22(25)26)5-7-17(16)21(2)3/h4-10H,11H2,1-3H3