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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-2-3-14-25-21(28)16-9-5-4-8-15(16)19(24-25)20(27)23-13-12-22-17-10-6-7-11-18(17)26(29)30/h4-11,22H,2-3,12-14H2,1H3,(H,23,27)