heptyl 4-[[(E)-[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]amino]benzoate

Systemtic Name: heptyl 4-[[(E)-[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]amino]benzoate Openeye Name: heptyl 4-[[(E)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]amino]benzoate CAS Name: 4-[[(E)-(6-methyl-2,4-dioxo-3-pyranylidene)methyl]amino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[[(E)-(6-methyl-2,4-dioxopyran-3-ylidene)methyl]amino]benzoate Traditional Name: 4-[[(E)-(2,4-diketo-6-methyl-pyran-3-ylidene)methyl]amino]benzoic acid heptyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)C=C(OC2=O)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)N/C=C/2\C(=O)C=C(OC2=O)C

InChI

InChI=1S/C21H25NO5/c1-3-4-5-6-7-12-26-20(24)16-8-10-17(11-9-16)22-14-18-19(23)13-15(2)27-21(18)25/h8-11,13-14,22H,3-7,12H2,1-2H3/b18-14+