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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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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-])NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-13-3-5-16-14(10-20(24)30-19(16)9-13)12-29-21(25)17-11-15(23(26)27)4-6-18(17)22-7-8-28-2/h3-6,9-11,22H,7-8,12H2,1-2H3