4-[[[3,4-bis(oxidanylidene)-2-(propylamino)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[3,4-bis(oxidanylidene)-2-(propylamino)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[3,4-dioxo-2-(propylamino)cyclobuten-1-yl]amino]methyl]benzonitrile CAS Name: 4-[[[3,4-dioxo-2-(propylamino)-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[3,4-dioxo-2-(propylamino)cyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[3,4-diketo-2-(propylamino)cyclobuten-1-yl]amino]methyl]benzonitrile Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H15N3O2/c1-2-7-17-12-13(15(20)14(12)19)18-9-11-5-3-10(8-16)4-6-11/h3-6,17-18H,2,7,9H2,1H3