3-phenylpropyl 2-(4-methyl-6-nitro-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: 3-phenylpropyl 2-(4-methyl-6-nitro-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: 3-phenylpropyl 2-(4-methyl-6-nitro-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(4-methyl-6-nitro-2-oxo-1-benzopyran-7-yl)oxy]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(4-methyl-6-nitro-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-keto-4-methyl-6-nitro-chromen-7-yl)oxyacetic acid 3-phenylpropyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO7/c1-14-10-20(23)29-18-12-19(17(22(25)26)11-16(14)18)28-13-21(24)27-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3