3-[[(E)-but-2-enyl]amino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(E)-but-2-enyl]amino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(E)-but-2-enyl]amino]-4-(4-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[(E)-but-2-enyl]amino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(E)-but-2-enyl]amino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[(E)-but-2-enyl]amino]-4-(4-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=O)C1=O)NCC2=CC=NC=C2

Isomeric SMILES

C/C=C/CNC1=C(C(=O)C1=O)NCC2=CC=NC=C2

InChI

InChI=1S/C14H15N3O2/c1-2-3-6-16-11-12(14(19)13(11)18)17-9-10-4-7-15-8-5-10/h2-5,7-8,16-17H,6,9H2,1H3/b3-2+