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

Systemtic Name: 3-(2-methylpropyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[2-(4-nitroanilino)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[2-(4-nitroanilino)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-[2-(4-nitroanilino)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[2-(4-nitroanilino)ethyl]phthalazine-1-carboxamide Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-14(2)13-25-21(28)18-6-4-3-5-17(18)19(24-25)20(27)23-12-11-22-15-7-9-16(10-8-15)26(29)30/h3-10,14,22H,11-13H2,1-2H3,(H,23,27)