(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC)C

InChI

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