azanyl 2-azanyl-6-azido-3-[4-[(E)-diazanylidenemethyl]phenyl]-2-(4-oxidanylidenebutanoyl)hex-4-ynoate

Systemtic Name: azanyl 2-azanyl-6-azido-3-[4-[(E)-diazanylidenemethyl]phenyl]-2-(4-oxidanylidenebutanoyl)hex-4-ynoate Openeye Name: amino 2-amino-6-azido-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-(4-oxobutanoyl)hex-4-ynoate CAS Name: 2-amino-6-azido-2-(1,4-dioxobutyl)-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-4-hexynoic acid amino ester IUPAC Name: amino 2-amino-6-azido-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-(4-oxobutanoyl)hex-4-ynoate Traditional Name: 2-amino-6-azido-3-[4-[(E)-hydrazonomethyl]phenyl]-2-(4-ketobutanoyl)hex-4-ynoic acid amino ester Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN)C(C#CCN=[N+]=[N-])C(C(=O)CCC=O)(C(=O)ON)N

Isomeric SMILES

C1=CC(=CC=C1/C=N/N)C(C#CCN=[N+]=[N-])C(C(=O)CCC=O)(C(=O)ON)N

InChI

InChI=1S/C17H19N7O4/c18-17(16(27)28-21,15(26)4-2-10-25)14(3-1-9-23-24-20)13-7-5-12(6-8-13)11-22-19/h5-8,10-11,14H,2,4,9,18-19,21H2/b22-11+