2-(1-adamantyl)-4-chloranyl-5-[(2-methoxy-5-nitro-phenyl)amino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2-methoxy-5-nitro-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2-methoxy-5-nitro-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2-methoxy-5-nitroanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2-methoxy-5-nitroanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2-methoxy-5-nitro-anilino)pyridazin-3-one Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H23ClN4O4/c1-30-18-3-2-15(26(28)29)7-16(18)24-17-11-23-25(20(27)19(17)22)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14,24H,4-6,8-10H2,1H3