4-[(3-bromophenyl)amino]-5-ethanoyl-2-ethyl-6-(3-nitrophenyl)pyridazin-3-one

Systemtic Name: 4-[(3-bromophenyl)amino]-5-ethanoyl-2-ethyl-6-(3-nitrophenyl)pyridazin-3-one Openeye Name: 5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-nitrophenyl)pyridazin-3-one CAS Name: 5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-nitrophenyl)-3-pyridazinone IUPAC Name: 5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-nitrophenyl)pyridazin-3-one Traditional Name: 5-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-nitrophenyl)pyridazin-3-one Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN4O4/c1-3-24-20(27)19(22-15-8-5-7-14(21)11-15)17(12(2)26)18(23-24)13-6-4-9-16(10-13)25(28)29/h4-11,22H,3H2,1-2H3