[2-methyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [2-methyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 3-nitrobenzoate Openeye Name: [2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methyl-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-keto-2-methyl-3-(4-propoxycarbonylphenoxy)chromen-7-yl] ester Formula: C27H21NO9 MolecularWeight: 503.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H21NO9/c1-3-13-34-26(30)17-7-9-20(10-8-17)36-25-16(2)35-23-15-21(11-12-22(23)24(25)29)37-27(31)18-5-4-6-19(14-18)28(32)33/h4-12,14-15H,3,13H2,1-2H3