[2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 3-nitrobenzoate Openeye Name: (3-benzyl-2-oxo-chromen-4-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-2-oxochromen-4-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-benzyl-2-keto-chromen-4-yl) ester Formula: C23H15NO6 MolecularWeight: 401.3683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO6/c25-22(16-9-6-10-17(14-16)24(27)28)30-21-18-11-4-5-12-20(18)29-23(26)19(21)13-15-7-2-1-3-8-15/h1-12,14H,13H2