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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(ethylamino)-3-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-4-22-17-8-6-14(9-18(17)23(26)27)21(25)28-11-15-10-19(24)29-20-13(3)12(2)5-7-16(15)20/h5-10,22H,4,11H2,1-3H3