[3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C26H18N2O6S MolecularWeight: 486.49592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18N2O6S/c1-3-19-22(25-27-18-9-4-5-10-21(18)35-25)23(29)17-11-12-20(14(2)24(17)33-19)34-26(30)15-7-6-8-16(13-15)28(31)32/h4-13H,3H2,1-2H3