(4-nitrophenyl)methyl N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate CAS Name: N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]carbamic acid (4-nitrobenzyl) ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c25-18-16-5-2-1-4-15(16)17(22-23-18)20-10-3-11-21-19(26)29-12-13-6-8-14(9-7-13)24(27)28/h1-2,4-9H,3,10-12H2,(H,20,22)(H,21,26)(H,23,25)