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

Systemtic Name: 3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[2-(4-nitroanilino)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-(4-nitroanilino)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[2-(4-nitroanilino)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(4-nitroanilino)ethyl]phthalazine-1-carboxamide Formula: C18H17N5O4 MolecularWeight: 367.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4/c1-22-18(25)15-5-3-2-4-14(15)16(21-22)17(24)20-11-10-19-12-6-8-13(9-7-12)23(26)27/h2-9,19H,10-11H2,1H3,(H,20,24)