tert-butyl N-[2-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-anilino]ethyl]carbamate CAS Name: N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitroanilino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitroanilino]ethyl]carbamate Traditional Name: N-[2-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-anilino]ethyl]carbamic acid tert-butyl ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NNC(=O)C1C2=CC(=C(C=C2)NCCNC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1C=NNC(=O)C1C2=CC(=C(C=C2)NCCNC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5/c1-11-10-21-22-16(24)15(11)12-5-6-13(14(9-12)23(26)27)19-7-8-20-17(25)28-18(2,3)4/h5-6,9-11,15,19H,7-8H2,1-4H3,(H,20,25)(H,22,24)