(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C21H17NO6/c1-12-4-2-7-16(20(12)22(25)26)21(24)27-11-15-10-19(23)28-18-9-14-6-3-5-13(14)8-17(15)18/h2,4,7-10H,3,5-6,11H2,1H3