tert-butyl N-[3-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-anilino]propyl]carbamate CAS Name: N-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitroanilino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitroanilino]propyl]carbamate Traditional Name: N-[3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-anilino]propyl]carbamic acid tert-butyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCNC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCNC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O5/c1-12-10-16(25)22-23-17(12)13-6-7-14(15(11-13)24(27)28)20-8-5-9-21-18(26)29-19(2,3)4/h6-7,11-12,20H,5,8-10H2,1-4H3,(H,21,26)(H,22,25)