2-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzamide

Systemtic Name: 2-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzamide Openeye Name: 2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide CAS Name: 2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide IUPAC Name: 2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-2-nitro-benzamide Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c24-17(14-8-3-4-9-15(14)23(26)27)20-11-5-10-19-16-12-6-1-2-7-13(12)18(25)22-21-16/h1-4,6-9H,5,10-11H2,(H,19,21)(H,20,24)(H,22,25)