(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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