pentyl 4-[(E)-azanyl-[2,4-bis(oxidanylidene)chromen-3-ylidene]methyl]benzoate

Systemtic Name: pentyl 4-[(E)-azanyl-[2,4-bis(oxidanylidene)chromen-3-ylidene]methyl]benzoate Openeye Name: pentyl 4-[(E)-amino-(2,4-dioxochroman-3-ylidene)methyl]benzoate CAS Name: 4-[(E)-amino-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(E)-amino-(2,4-dioxochromen-3-ylidene)methyl]benzoate Traditional Name: 4-[(E)-amino-(2,4-diketochroman-3-ylidene)methyl]benzoic acid amyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3OC2=O)N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)/C(=C\2/C(=O)C3=CC=CC=C3OC2=O)/N

InChI

InChI=1S/C22H21NO5/c1-2-3-6-13-27-21(25)15-11-9-14(10-12-15)19(23)18-20(24)16-7-4-5-8-17(16)28-22(18)26/h4-5,7-12H,2-3,6,13,23H2,1H3/b19-18+