N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(2-nitroanilino)ethyl]phthalazine-1-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-2-3-8-15-26-22(29)17-10-5-4-9-16(17)20(25-26)21(28)24-14-13-23-18-11-6-7-12-19(18)27(30)31/h4-7,9-12,23H,2-3,8,13-15H2,1H3,(H,24,28)