[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C25H16N2O6S MolecularWeight: 472.46934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N2O6S/c1-2-14-11-17-21(12-20(14)33-25(29)15-6-5-7-16(10-15)27(30)31)32-13-18(23(17)28)24-26-19-8-3-4-9-22(19)34-24/h3-13H,2H2,1H3