[6-ethyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 3-nitrobenzoate

Systemtic Name: [6-ethyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 3-nitrobenzoate Openeye Name: [6-ethyl-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [6-ethyl-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-ethyl-2-(4-methoxyphenyl)-4-oxochromen-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [6-ethyl-4-keto-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H19NO7/c1-3-15-7-12-21-20(13-15)22(27)24(23(32-21)16-8-10-19(31-2)11-9-16)33-25(28)17-5-4-6-18(14-17)26(29)30/h4-14H,3H2,1-2H3