[4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(2-isopropylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H18ClNO7 MolecularWeight: 479.86592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H18ClNO7/c1-14(2)17-5-3-4-6-21(17)34-23-13-32-22-12-16(8-9-18(22)24(23)28)33-25(29)15-7-10-19(26)20(11-15)27(30)31/h3-14H,1-2H3