1-butyl-5-[(E,3E)-3-[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-pentyl-pyridin-3-ylidene]prop-1-enyl]-3-isocyano-4-methyl-6-oxidanylidene-pyridin-2-olate

Systemtic Name: 1-butyl-5-[(E,3E)-3-[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-pentyl-pyridin-3-ylidene]prop-1-enyl]-3-isocyano-4-methyl-6-oxidanylidene-pyridin-2-olate Openeye Name: 1-butyl-5-[(E,3E)-3-(5-cyano-4-methyl-2,6-dioxo-1-pentyl-3-pyridylidene)prop-1-enyl]-3-isocyano-4-methyl-6-oxo-pyridin-2-olate CAS Name: 1-butyl-5-[(E,3E)-3-(5-cyano-4-methyl-2,6-dioxo-1-pentyl-3-pyridinylidene)prop-1-enyl]-3-isocyano-4-methyl-6-oxo-2-pyridinolate IUPAC Name: 1-butyl-5-[(E,3E)-3-(5-cyano-4-methyl-2,6-dioxo-1-pentylpyridin-3-ylidene)prop-1-enyl]-3-isocyano-4-methyl-6-oxopyridin-2-olate Traditional Name: 5-[(E,3E)-3-(1-amyl-5-cyano-2,6-diketo-4-methyl-3-pyridylidene)prop-1-enyl]-1-butyl-3-isocyano-6-keto-4-methyl-pyridin-2-olate Formula: C26H29N4O4- MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC=CC2=C(C(=C(N(C2=O)CCCC)[O-])[N+]#[C-])C)C(=C(C1=O)C#N)C

Isomeric SMILES

CCCCCN1C(=O)/C(=C/C=C/C2=C(C(=C(N(C2=O)CCCC)[O-])[N+]#[C-])C)/C(=C(C1=O)C#N)C

InChI

InChI=1S/C26H30N4O4/c1-6-8-10-15-29-23(31)19(17(3)21(16-27)25(29)33)12-11-13-20-18(4)22(28-5)26(34)30(24(20)32)14-9-7-2/h11-13,34H,6-10,14-15H2,1-4H3/p-1/b13-11+,19-12+