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

Systemtic Name: 4-chloranyl-3-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide CAS Name: 4-chloro-3-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzamide Traditional Name: 4-chloro-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-nitro-benzamide Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4/c19-14-7-6-11(10-15(14)24(27)28)17(25)21-9-3-8-20-16-12-4-1-2-5-13(12)18(26)23-22-16/h1-2,4-7,10H,3,8-9H2,(H,20,22)(H,21,25)(H,23,26)