2-azanyl-3-(5-azanyl-2-isocyanato-pentanoyl)benzaldehyde

Systemtic Name: 2-azanyl-3-(5-azanyl-2-isocyanato-pentanoyl)benzaldehyde Openeye Name: 2-amino-3-(5-amino-2-isocyanato-pentanoyl)benzaldehyde CAS Name: 2-amino-3-(5-amino-2-isocyanato-1-oxopentyl)benzaldehyde IUPAC Name: 2-amino-3-(5-amino-2-isocyanatopentanoyl)benzaldehyde Traditional Name: 2-amino-3-(5-amino-2-isocyanato-pentanoyl)benzaldehyde Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)C(CCCN)N=C=O)N)C=O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)C(CCCN)N=C=O)N)C=O

InChI

InChI=1S/C13H15N3O3/c14-6-2-5-11(16-8-18)13(19)10-4-1-3-9(7-17)12(10)15/h1,3-4,7,11H,2,5-6,14-15H2