N-(2-methyl-3-nitro-phenyl)-2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(4-oxo-5-propyl-pyridazino[4,5-b]indol-3-yl)acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propyl-3-pyridazino[4,5-b]indolyl)acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide Traditional Name: 2-(4-keto-5-propyl-pyridazin[4,5-b]indol-3-yl)-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O4/c1-3-11-25-19-9-5-4-7-15(19)16-12-23-26(22(29)21(16)25)13-20(28)24-17-8-6-10-18(14(17)2)27(30)31/h4-10,12H,3,11,13H2,1-2H3,(H,24,28)